8-Chloro-5,6-dihydro-4-oxo-6-phenyl-4H-pyrazolo[1,5-a][1,4]benzodiazepine-2-methanol

HCID 12377890
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1NC(c2ccccc2)c2cc(Cl)ccc2-n2nc(CO)cc21
InChIKey
LYZAQPHLAYKYII-UHFFFAOYSA-N
Molecular formula
C18H14ClN3O2
Average molar mass
339.8 g/mol

Names & identifiers

Preferred name
8-Chloro-5,6-dihydro-4-oxo-6-phenyl-4H-pyrazolo[1,5-a][1,4]benzodiazepine-2-methanol
IUPAC
8-chloro-2-(hydroxymethyl)-6-phenyl-5,6-dihydropyrazolo[1,5-a][1,4]benzodiazepin-4-one

Names & synonyms

SCHEMBL11528510LYZAQPHLAYKYII-UHFFFAOYSA-N8-Chloro-5,6-dihydro-4-oxo-6-phenyl-4H-pyrazolo[1,5-a][1,4]benzodiazepine-2-methanol

Database identifiers

PubChem CID
12377890

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
67.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
24

Related reactions

4 records
New reaction record

Linked notes

Loading…