BRN 4639956

ethyl 4-[[4-[[3-[[4-[(4-ethoxycarbonylphenyl)carbamoyl]anilino]methyl]-2-sulfanylidenebenzimidazol-1-yl]methylamino]benzoyl]amino]benzoate

CAS: 88351-75-1

Molecular Formula	`C41H38N6O6S`
Molecular Weight	742.8 g/mol
LogP	7.2
Topological Polar Surface Area	173.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	16
Exact Mass	742.2573
Heavy Atoms	54
Complexity	1180.0

Chemical Identifiers

CAS Number	88351-75-1
SMILES	`CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NCN3C4=CC=CC=C4N(C3=S)CNC5=CC=C(C=C5)C(=O)NC6=CC=C(C=C6)C(=O)OCC`
InChIKey	`YYWBBLOLOFZUMU-UHFFFAOYSA-N`

📖 Product Overview

BRN 4639956 (CAS: 88351-75-1) is a chemical compound with molecular formula C41H38N6O6S and molecular weight 742.8 g/mol. Its IUPAC systematic name is ethyl 4-[[4-[[3-[[4-[(4-ethoxycarbonylphenyl)carbamoyl]anilino]methyl]-2-sulfanylidenebenzimidazol-1-yl]methylamino]benzoyl]amino]benzoate. LogP 7.2 Topological Polar Surface Area 173.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 9 Rotatable Bonds 16 Exact Mass 742.2573 Heavy Atoms 54 Complexity 1180.0 InChI Key: YYWBBLOLOFZUMU-UHFFFAOYSA-N. SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NCN3C4=CC=CC=C4N(C3=S)CNC5=CC=C(C=C5)C(=O)NC6=CC=C(C=C6)C(=O)OCC.

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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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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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