Basic information
- CAS
84496-12-8- Standard SMILES
COC(=O)c1ccc(NC(=O)c2ccc(N=C3C(=O)N(CN4CCOCC4)c4ccc(Cl)cc43)cc2)cc1- InChIKey
ZGCAPVPOSIBHEN-UHFFFAOYSA-N- Molecular formula
- C28H25ClN4O5
- Average molar mass
- 533 g/mol
- Monoisotopic mass
- 532.1513476
Names & identifiers
- Preferred name
- Benzoic acid, 4-((4-((5-chloro-1,2-dihydro-1-(4-morpholinylmethyl)-2-oxo-3H-indol-3-ylidene)amino)benzoyl)amino)-, methyl ester
- IUPAC
- methyl 4-[[4-[[5-chloro-1-(morpholin-4-ylmethyl)-2-oxoindol-3-ylidene]amino]benzoyl]amino]benzoate
Names & synonyms
BRN 5198609Benzoic acid, 4-((4-((5-chloro-1,2-dihydro-1-(4-morpholinylmethyl)-2-oxo-3H-indol-3-ylidene)amino)benzoyl)amino)-, methyl ester84496-12-8
Database identifiers
- CAS
84496-12-8- PubChem CID
- 55271
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 894
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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