Benzoic acid, 4-((4-((5-chloro-1,2-dihydro-2-oxo-1-(1-piperidinylmethyl)-3H-indol-3-ylidene)amino)benzoyl)amino)-, propyl ester
Basic information
- CAS
84496-17-3- Standard SMILES
CCCOC(=O)c1ccc(NC(=O)c2ccc(N=C3C(=O)N(CN4CCCCC4)c4ccc(Cl)cc43)cc2)cc1- InChIKey
DKPXSXGYGGKUGS-UHFFFAOYSA-N- Molecular formula
- C31H31ClN4O4
- Average molar mass
- 559.1 g/mol
- Monoisotopic mass
- 558.2033832
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)-, propyl ester
- IUPAC
- propyl 4-[[4-[[5-chloro-2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]benzoyl]amino]benzoate
Names & synonyms
BRN 5199404Benzoic acid, 4-((4-((5-chloro-1,2-dihydro-2-oxo-1-(1-piperidinylmethyl)-3H-indol-3-ylidene)amino)benzoyl)amino)-, propyl ester84496-17-3
Database identifiers
- CAS
84496-17-3- PubChem CID
- 55276
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 922
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…