Basic information
- CAS
20622-25-7- Standard SMILES
CCCC(CCC)C(=O)OC1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O- InChIKey
NLFJAJPHXUYMGS-UHFFFAOYSA-N- Molecular formula
- C23H25ClN2O3
- Average molar mass
- 412.9 g/mol
- Monoisotopic mass
- 412.1553704
Names & identifiers
- Preferred name
- Oxazepam dipropylacetate
- IUPAC
- (7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 2-propylpentanoate
Names & synonyms
Oxazepam dipropylacetate20622-25-7RefChem:1094002Oxazepam dipropylacetic esterSAS 554BRN 0717933Pentanoic acid, 2-propyl-, 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl esterCHEMBL291415DTXSID609428117-Chloro-2-hydroxy-5-phenyl-3H-1,4-benzodiazepin-3-yl 2-propylpentanoate
Database identifiers
- CAS
20622-25-7- PubChem CID
- 89361
- DTXSID
DTXSID60942811- ChEMBL
CHEMBL291415- Nikkaji
- J1.609.059J
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 597
Experimental & physicochemical properties
LogP4.94
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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