Basic information
- Standard SMILES
CCS(=O)(=O)c1cccc(-c2cc(C(=O)O)c(C)c3[nH]c4ncc(C)cc4c23)c1- InChIKey
GYVKQSOJRVOTQA-UHFFFAOYSA-N- Molecular formula
- C22H20N2O4S
- Average molar mass
- 408.5 g/mol
Names & identifiers
- Preferred name
- 5-(3-(ethylsulfonyl)phenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid
- IUPAC
- 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid
Names & synonyms
5-(3-(ethylsulfonyl)phenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid5-[3-(ethylsulfonyl)phenyl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acidSCHEMBL645848GYVKQSOJRVOTQA-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 16123773
- Nikkaji
- J3.408.640K
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 721
Related reactions
4 records
Compound notes
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