3-O-Ethyloxazepam
Basic information
- CAS
4951-07-9- Standard SMILES
CCOC1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O- InChIKey
YWSOBIMUIPVQQM-UHFFFAOYSA-N- Molecular formula
- C17H15ClN2O2
- Average molar mass
- 314.8 g/mol
- Monoisotopic mass
- 314.0822054
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3-O-Ethyloxazepam
- IUPAC
- 7-chloro-3-ethoxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
- English name
- 3-O-ethyloxazepam
- Molecular formula
- C17H15ClN2O2
- Molecular weight
- 314.77
Names & synonyms
3-O-Ethyloxazepam3-Etox4951-07-9RefChem:911572NSC2958842H-1,4-Benzodiazepin-2-one, 7-chloro-3-ethoxy-1,3-dihydro-5-phenyl-Nordazepam 3-ethoxy-SCHEMBL11855343YWSOBIMUIPVQQM-UHFFFAOYSA-N7-chloro-3-ethoxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-oneAKOS002710510NSC 295884
Show more names
NSC-2958847-Chloro-3-ethoxy-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one7-Chloro-3-ethoxy-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one #
Database identifiers
- CAS
4951-07-9- PubChem CID
- 99968
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 434
Physicochemical properties
- Melting point
- 225 · 225-226 °C(Solv: dichloromethane (75-09-2))
- Boiling point
- 480.5 · 480.5±45.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 10.81 · 10.81±0.70(Predicted)
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Related reactions
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Compound notes
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