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
- Formal charge
- 0
- Complexity
- 617
Related reactions
8 records
Compound notes
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