Basic information
- Standard SMILES
O=C(CCCBr)N1CC(c2ccc(Cl)cc2)Sc2ccccc21- InChIKey
YAODBNIKQCMWKU-UHFFFAOYSA-N- Molecular formula
- C18H17BrClNOS
- Average molar mass
- 410.8 g/mol
Names & identifiers
- Preferred name
- 4-(4-bromobutyryl)-2-(4-chlorophenyl)-3,4-dihyro-2H-1,4-benzothiazine
- IUPAC
- 4-bromo-1-[2-(4-chlorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]butan-1-one
Names & synonyms
SCHEMBL7281356YAODBNIKQCMWKU-UHFFFAOYSA-N4-(4-bromobutyryl)-2-(4-chlorophenyl)-3,4-dihyro-2H-1,4-benzothiazine
Database identifiers
- PubChem CID
- 70044772
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 402
Related reactions
3 records
Compound notes
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