11b-(2-Chlorophenyl)-7-(2-hydroxyethyl)-10-nitro-2,3,5,11b-tetrahydrooxazolo[3,2-d][1,4]benzodiazepin-6(7H)-one

HCID 21409983

Basic information

Standard SMILES
O=C1CN2CCOC2(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1CCO
InChIKey
YOWLJNFSWLEZKR-UHFFFAOYSA-N
Molecular formula
C19H18ClN3O5
Average molar mass
403.8 g/mol

Names & identifiers

Preferred name
11b-(2-Chlorophenyl)-7-(2-hydroxyethyl)-10-nitro-2,3,5,11b-tetrahydrooxazolo[3,2-d][1,4]benzodiazepin-6(7H)-one
IUPAC
11b-(2-chlorophenyl)-7-(2-hydroxyethyl)-10-nitro-3,5-dihydro-2H-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one

Names & synonyms

SCHEMBL11676591YOWLJNFSWLEZKR-UHFFFAOYSA-N11b-(2-Chlorophenyl)-7-(2-hydroxyethyl)-10-nitro-2,3,5,11b-tetrahydrooxazolo[3,2-d] [1,4]benzodiazepin-6(7H)-one11b-(2-Chlorophenyl)-7-(2-hydroxyethyl)-10-nitro-2,3,5,11b-tetrahydrooxazolo[3,2-d][1,4]benzodiazepin-6(7H)-one

Database identifiers

PubChem CID
21409983

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
98.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
28

Related reactions

8 records

Compound notes

Loading…