2-[3-(2-Amino-phenylcarbamoylmethyl)-3-methyl-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl]-N-isopropyl-N-phenyl acetamide

HCID 67697296
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Basic information

Standard SMILES
CC(C)N(C(=O)CN1C(=O)C(C)(CC(=O)Nc2ccccc2N)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1
InChIKey
WANJIDDWIIAVCK-UHFFFAOYSA-N
Molecular formula
C35H35N5O4
Average molar mass
589.7 g/mol
Monoisotopic mass
589.26890461

Names & identifiers

Preferred name
2-[3-(2-Amino-phenylcarbamoylmethyl)-3-methyl-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl]-N-isopropyl-N-phenyl acetamide
IUPAC
N-(2-aminophenyl)-2-[3-methyl-2,4-dioxo-1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]-5-phenyl-1,5-benzodiazepin-3-yl]acetamide

Names & synonyms

SCHEMBL8806839WANJIDDWIIAVCK-UHFFFAOYSA-N2-[3-(2-Amino-phenylcarbamoylmethyl)-3-methyl-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl]-N-isopropyl-N-phenyl acetamide

Database identifiers

PubChem CID
67697296

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
116 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
44

Related reactions

1 records
New reaction record

Compound notes

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