12H-Benzo[a]phenothiazine, 12-acetyl-2-(chloroacetyl)-
Basic information
- CAS
7731-97-7- Standard SMILES
CC(=O)N1c2ccccc2Sc2ccc3ccc(C(=O)CCl)cc3c21- InChIKey
UMTVLBHRIIZPNY-UHFFFAOYSA-N- Molecular formula
- C20H14ClNO2S
- Average molar mass
- 367.8 g/mol
- Monoisotopic mass
- 367.0433776
Names & identifiers
- Preferred name
- 12H-Benzo[a]phenothiazine, 12-acetyl-2-(chloroacetyl)-
- IUPAC
- 1-(12-acetylbenzo[a]phenothiazin-2-yl)-2-chloroethanone
Names & synonyms
7731-97-712H-Benzo[a]phenothiazine, 12-acetyl-2-(chloroacetyl)-NSC271926DTXSID50313536NSC-2719261-(12-Acetyl-12H-benzo[a]phenothiazin-2-yl)-2-chloroethan-1-one
Database identifiers
- CAS
7731-97-7- PubChem CID
- 321406
- DTXSID
DTXSID50313536
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 542
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Compound notes
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