Basic information
- Standard SMILES
COC(=O)c1ccc(-c2c(NC(=O)Cc3cccs3)ccc3c2/C(=C/c2[nH]ccc2OC)C(=O)N3)cc1- InChIKey
FEQVYQPATAHLEB-CYVLTUHYSA-N- Molecular formula
- C28H23N3O5S
- Average molar mass
- 513.6 g/mol
Names & identifiers
- Preferred name
- (Z)-4-[2,3-dihydro-3-[(3-methoxy-1H-pyrrol-2-yl) methylene]-2-oxo-5-[(2-thienylacetyl)amino]-1H-indol-4-yl]-benzoic acid methyl ester
- IUPAC
- methyl 4-[(3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxo-5-[(2-thiophen-2-ylacetyl)amino]-1H-indol-4-yl]benzoate
Names & synonyms
SCHEMBL7828257FEQVYQPATAHLEB-CYVLTUHYSA-N(Z)-4-[2,3-dihydro-3-[(3-methoxy-1H-pyrrol-2-yl) methylene]-2-oxo-5-[(2-thienylacetyl)amino]-1H-indol-4-yl]-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 9871087
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 889
Related reactions
2 records
Compound notes
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