BRN 5198609

methyl 4-[[4-[[5-chloro-1-(morpholin-4-ylmethyl)-2-oxoindol-3-ylidene]amino]benzoyl]amino]benzoate

CAS: 84496-12-8

Molecular Formula	`C28H25ClN4O5`
Molecular Weight	533.0 g/mol
LogP	3.8
Topological Polar Surface Area	101.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	532.15137
Heavy Atoms	38
Complexity	894.0

Chemical Identifiers

CAS Number	84496-12-8
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)CN5CCOCC5`
InChIKey	`ZGCAPVPOSIBHEN-UHFFFAOYSA-N`

📖 Product Overview

BRN 5198609 (CAS: 84496-12-8) is a chemical compound with molecular formula C28H25ClN4O5 and molecular weight 533.0 g/mol. Its IUPAC systematic name is methyl 4-[[4-[[5-chloro-1-(morpholin-4-ylmethyl)-2-oxoindol-3-ylidene]amino]benzoyl]amino]benzoate. LogP 3.8 Topological Polar Surface Area 101.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 7 Rotatable Bonds 7 Exact Mass 532.15137 Heavy Atoms 38 Complexity 894.0 InChI Key: ZGCAPVPOSIBHEN-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)CN5CCOCC5.

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