1-(4-Carboxybenzyl)-4-(4-chlorobenzoyl)-1,3,4,5-tetrahydrobenzo[e][1,4]diazepin-2-on

HCID 22632534
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Basic information

Standard SMILES
O=C(O)c1ccc(CN2C(=O)CN(C(=O)c3ccc(Cl)cc3)Cc3ccccc32)cc1
InChIKey
QKRHVBYPKIQCQG-UHFFFAOYSA-N
Molecular formula
C24H19ClN2O4
Average molar mass
434.9 g/mol

Names & identifiers

Preferred name
1-(4-Carboxybenzyl)-4-(4-chlorobenzoyl)-1,3,4,5-tetrahydrobenzo[e][1,4]diazepin-2-on
IUPAC
4-[[4-(4-chlorobenzoyl)-2-oxo-3,5-dihydro-1,4-benzodiazepin-1-yl]methyl]benzoic acid

Names & synonyms

SCHEMBL6776202QKRHVBYPKIQCQG-UHFFFAOYSA-N1-(4-carboxybenzyl)-4-(4-chlorobenzoyl)-1,3,4,5-tetrahydrobenzo[e][1,4]diazepin-2-on

Database identifiers

PubChem CID
22632534

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
77.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
31

Related reactions

5 records
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Compound notes

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