Basic information
- CAS
78031-24-0- Standard SMILES
CC1CC(c2ccc(Cl)cc2)=Nc2ccccc2S1- InChIKey
SRFCVELFGQYQOG-UHFFFAOYSA-N- Molecular formula
- C16H14ClNS
- Average molar mass
- 287.8 g/mol
- Monoisotopic mass
- 287.0535483
Names & identifiers
- Preferred name
- 4-(4-Chlorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine
- IUPAC
- 4-(4-chlorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine
Names & synonyms
NSC6370014-(4-Chlorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine78031-24-01,5-Benzothiazepine, 4-(4-chlorophenyl)-2,3-dihydro-2-methyl-CHEMBL1977718DTXSID20327201SRFCVELFGQYQOG-UHFFFAOYSA-NNSC-637001NCI60_0122652-Methyl-4-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepine4-(4-Chlorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine #
Database identifiers
- CAS
78031-24-0- PubChem CID
- 367362
- DTXSID
DTXSID20327201- ChEMBL
CHEMBL1977718- Nikkaji
- J586.330I
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 37.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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