1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, 1-methylethyl ester

Base Information

• Chemical Name: 1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, 1-methylethyl ester
• CAS No.: 540740-39-4
• Molecular Formula: C18H17NO4S
• Molecular Weight: 343.39700
• DSSTox Substance ID: DTXSID00448221
• Wikidata: Q82267190
• ChEMBL ID: CHEMBL309838
• Mol file: 540740-39-4.mol

Synonyms:540740-39-4;1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, 1-methylethyl ester;CHEMBL309838;DTXSID00448221

Chemical Property of 1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, 1-methylethyl ester

Chemical Property:

• PSA: 73.75000
• LogP: 4.52430
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 343.08782920
• Heavy Atom Count: 24
• Complexity: 548

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3