Basic Information | Post buying leads | Suppliers |
Name |
Ataciguat |
EINECS | N/A |
CAS No. | 254877-67-3 | Density | 1.613 g/cm3 |
PSA | 166.88000 | LogP | 6.37440 |
Solubility | N/A | Melting Point |
N/A |
Formula | C21H19Cl2N3O6S3 | Boiling Point | N/A |
Molecular Weight | 576.502 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Chloro-2-((5-chloro-2-thienyl)sulfonylamino)-N-(4-(morpholin-4-ylsulfonyl)phenyl)benzamide;HMR 1766;UNII-QP166M390Q;5-Chloro-2-(5-chlorothiophene-2-sulfonylamino)-N-(4-(morpholine-4-sulfonyl)phenyl)benzamide; |
The Benzamide,5-chloro-2-[[(5-chloro-2-thienyl)sulfonyl]amino]-N-[4-(4-morpholinylsulfonyl)phenyl]- with CAS registry number of 254877-67-3 is also known as Ataciguat. The IUPAC name is 5-Chloro-2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)benzamide. It belongs to product categories of Intermediates & Fine Chemicals; Pharmaceuticals; Sulfur & Selenium Compounds. In addition, the formula is C21H19Cl2N3O6S3 and the molecular weight is 576.49. What's more, it has been shown to improve endothelial function and to reduce p.
Physical properties about Benzamide,5-chloro-2-[[(5-chloro-2-thienyl)sulfonyl]amino]-N-[4-(4-morpholinylsulfonyl)phenyl]- are: (1)ACD/LogP: 6.16; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 6.09; (4)ACD/LogD (pH 7.4): 5.01; (5)ACD/BCF (pH 5.5): 23800.99; (6)ACD/BCF (pH 7.4): 1979.21; (7)ACD/KOC (pH 5.5): 44922.5; (8)ACD/KOC (pH 7.4): 3735.61; (9)#H bond acceptors: 9; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.684; (13)Molar Refractivity: 135.75 cm3; (14)Molar Volume: 357.1 cm3; (15)Surface Tension: 73.3 dyne/cm; (16)Density: 1.613 g/cm3.
You can still convert the following datas into molecular structure:
1. SMILES: O=S(=O)(c1sc(Cl)cc1)Nc4ccc(Cl)cc4C(=O)Nc2ccc(cc2)S(=O)(=O)N3CCOCC3
2. InChI: InChI=1/C21H19Cl2N3O6S3/c22-14-1-6-18(25-34(28,29)20-8-7-19(23)33-20)17(13-14)21(27)24-15-2-4-16(5-3-15)35(30,31)26-9-11-32-12-10-26/h1-8,13,25H,9-12H2,(H,24,27)
3. InChIKey: PQHLRGARXNPFCF-UHFFFAOYAX
4. Std. InChI: InChI=1S/C21H19Cl2N3O6S3/c22-14-1-6-18(25-34(28,29)20-8-7-19(23)33-20)17(13-14)21(27)24-15-2-4-16(5-3-15)35(30,31)26-9-11-32-12-10-26/h1-8,13,25H,9-12H2,(H,24,27)
5. Std. InChIKey: PQHLRGARXNPFCF-UHFFFAOYSA-N