Benzoic acid, 4-((4-((5-chloro-1,2-dihydro-2-oxo-1-(1-piperidinylmethyl)-3H-indol-3-ylidene)amino)benzoyl)amino)-, ethyl ester
Basic information
- CAS
84496-15-1- Standard SMILES
CCOC(=O)c1ccc(NC(=O)c2ccc(N=C3C(=O)N(CN4CCCCC4)c4ccc(Cl)cc43)cc2)cc1- InChIKey
WVCSLSBBFNGFGE-UHFFFAOYSA-N- Molecular formula
- C30H29ClN4O4
- Average molar mass
- 545 g/mol
- Monoisotopic mass
- 544.1877331
Names & identifiers
- Preferred name
- Benzoic acid, 4-((4-((5-chloro-1,2-dihydro-2-oxo-1-(1-piperidinylmethyl)-3H-indol-3-ylidene)amino)benzoyl)amino)-, ethyl ester
- IUPAC
- ethyl 4-[[4-[[5-chloro-2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]benzoyl]amino]benzoate
Names & synonyms
BRN 5198886Benzoic acid, 4-((4-((5-chloro-1,2-dihydro-2-oxo-1-(1-piperidinylmethyl)-3H-indol-3-ylidene)amino)benzoyl)amino)-, ethyl ester84496-15-1
Database identifiers
- CAS
84496-15-1- PubChem CID
- 55274
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 907
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