BRN 5196610

methyl 4-[[4-[[5-chloro-2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]benzoyl]amino]benzoate

CAS: 84496-13-9

Molecular Formula	`C29H27ClN4O4`
Molecular Weight	531.0 g/mol
LogP	5.0
Topological Polar Surface Area	91.3 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	530.17206
Heavy Atoms	38
Complexity	891.0

Chemical Identifiers

CAS Number	84496-13-9
SMILES	`COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N=C3C4=C(C=CC(=C4)Cl)N(C3=O)CN5CCCCC5`
InChIKey	`WPQMGABRISHEOP-UHFFFAOYSA-N`

📖 Product Overview

BRN 5196610 (CAS: 84496-13-9) is a chemical compound with molecular formula C29H27ClN4O4 and molecular weight 531.0 g/mol. Its IUPAC systematic name is methyl 4-[[4-[[5-chloro-2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]benzoyl]amino]benzoate. LogP 5.0 Topological Polar Surface Area 91.3 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 7 Exact Mass 530.17206 Heavy Atoms 38 Complexity 891.0 InChI Key: WPQMGABRISHEOP-UHFFFAOYSA-N. SMILES: COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N=C3C4=C(C=CC(=C4)Cl)N(C3=O)CN5CCCCC5.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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