4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3-methoxybenzamido)phenyl)-N-ethyl-1,4-diazepane-1-carboxamide

Base Information

• Chemical Name: 4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3-methoxybenzamido)phenyl)-N-ethyl-1,4-diazepane-1-carboxamide
• CAS No.: 870998-14-4
• Molecular Formula: C31H35Cl2N5O4
• ChEMBL ID: CHEMBL370591
• DSSTox Substance ID: DTXSID301101872

Synonyms:CHEMBL370591;SCHEMBL4589821;DTXSID301101872;BDBM50175185;4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3-methoxybenzamido)phenyl)-N-ethyl-1,4-diazepane-1-carboxamide;4-[4-[[[2-(2,4-Dichlorophenyl)ethyl]amino]carbonyl]-2-[(3-methoxybenzoyl)amino]phenyl]-N-ethylhexahydro-1H-1,4-diazepine-1-carboxamide;870998-14-4

Chemical Property of 4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3-methoxybenzamido)phenyl)-N-ethyl-1,4-diazepane-1-carboxamide

Chemical Property:

• XLogP3: 5.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 611.2066100
• Heavy Atom Count: 42
• Complexity: 897

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Useful:

• Canonical SMILES: CCNC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCCC3=C(C=C(C=C3)Cl)Cl)NC(=O)C4=CC(=CC=C4)OC

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