4-(4-Fluorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine
Basic information
- CAS
74148-64-4- Standard SMILES
CC1CC(c2ccc(F)cc2)=Nc2ccccc2S1- InChIKey
BZWBDWLRTCEBCG-UHFFFAOYSA-N- Molecular formula
- C16H14FNS
- Average molar mass
- 271.4 g/mol
- Monoisotopic mass
- 271.08309879
Names & identifiers
- Preferred name
- 4-(4-Fluorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine
- IUPAC
- 4-(4-fluorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine
Names & synonyms
4-(4-Fluorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine74148-64-4DTXSID70346821RefChem:288019DTXCID60297893BZWBDWLRTCEBCG-UHFFFAOYSA-N2-Methyl-4-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepine4-(4-Fluorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine #
Database identifiers
- CAS
74148-64-4- PubChem CID
- 615342
- DTXSID
DTXSID70346821- Nikkaji
- J586.410K
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 37.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- 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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