2-Chloro-4-(2,4-dimethoxy-benzyl)-7-methoxy-3,4-dihydro-benzo[e][1,4]diazepin-5-one

HCID 22713523
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Basic information

Standard SMILES
COc1ccc(CN2CC(Cl)=Nc3ccc(OC)cc3C2=O)c(OC)c1
InChIKey
FEXJFVKXGYXIRT-UHFFFAOYSA-N
Molecular formula
C19H19ClN2O4
Average molar mass
374.8 g/mol
Monoisotopic mass
374.1033348

Names & identifiers

Preferred name
2-Chloro-4-(2,4-dimethoxy-benzyl)-7-methoxy-3,4-dihydro-benzo[e][1,4]diazepin-5-one
IUPAC
2-chloro-4-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-3H-1,4-benzodiazepin-5-one

Names & synonyms

SCHEMBL6870264FEXJFVKXGYXIRT-UHFFFAOYSA-N2-Chloro-4-(2,4-dimethoxy-benzyl)-7-methoxy-3,4-dihydro-benzo[e][1,4]diazepin-5-one

Database identifiers

PubChem CID
22713523

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
60.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
26

Related reactions

2 records
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Compound notes

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