Basic information
- CAS
84507-77-7- Standard SMILES
COC(=O)c1ccc(NC(=O)c2ccc(N=C3C(=O)N(C)c4ccc(Cl)cc43)cc2)cc1- InChIKey
KVMSEESRVCSEIR-UHFFFAOYSA-N- Molecular formula
- C24H18ClN3O4
- Average molar mass
- 447.9 g/mol
- Monoisotopic mass
- 447.0985838
Names & identifiers
- Preferred name
- Benzoic acid, 4-((4-((5-chloro-1,2-dihydro-1-methyl-2-oxo-3H-indol-3-ylidene)amino)benzoyl)amino)-, methyl ester
- IUPAC
- methyl 4-[[4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]benzoyl]amino]benzoate
Names & synonyms
BRN 5172246Benzoic acid, 4-((4-((5-chloro-1,2-dihydro-1-methyl-2-oxo-3H-indol-3-ylidene)amino)benzoyl)amino)-, methyl ester84507-77-7
Database identifiers
- CAS
84507-77-7- PubChem CID
- 55280
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 756
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…