7-chloro-1-[3-(dimethylamino)propyl]-5H-4,1-benzothiazepin-2-one
Basic information
- CAS
13540-16-4- Standard SMILES
CN(C)CCCN1C(=O)CSCc2cc(Cl)ccc21- InChIKey
OCECEZMMPHZBCP-UHFFFAOYSA-N- Molecular formula
- C14H19ClN2OS
- Average molar mass
- 298.8 g/mol
- Monoisotopic mass
- 298.0906621
Names & identifiers
- Preferred name
- 7-chloro-1-[3-(dimethylamino)propyl]-5H-4,1-benzothiazepin-2-one
- IUPAC
- 7-chloro-1-[3-(dimethylamino)propyl]-5H-4,1-benzothiazepin-2-one
Names & synonyms
7-chloro-1-[3-(dimethylamino)propyl]-5H-4,1-benzothiazepin-2-one13540-16-4DTXSID202748027-chloro-1-[3-(dimethylamino)propyl]-1,5-dihydro-4,1-benzothiazepin-2(3H)-one
Database identifiers
- CAS
13540-16-4- PubChem CID
- 26099
- DTXSID
DTXSID20274802
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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