3-(N'-(Chloroacetyl)-L-alaninyl)amino-2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one

HCID 22984569

Basic information

Standard SMILES
C[C@H](NC(=O)CCl)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O
InChIKey
RMOUVYGAJYONRE-YTJLLHSVSA-N
Molecular formula
C21H21ClN4O3
Average molar mass
412.9 g/mol
Monoisotopic mass
412.1302182

Names & identifiers

Preferred name
3-(N'-(Chloroacetyl)-L-alaninyl)amino-2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one
IUPAC
(2S)-2-[(2-chloroacetyl)amino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide

Names & synonyms

SCHEMBL4424657RMOUVYGAJYONRE-YTJLLHSVSA-N3-(N'-(Chloroacetyl)-L-alaninyl)amino-2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one3-(N'-(Chloroacetyl)-L-alaninyl)amino-2,3-dihydro-1-methyl-5-phenyl-1H-1,4benzodiazepin-2-one

Database identifiers

PubChem CID
22984569

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
90.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
29

Related reactions

13 records

Compound notes

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