Basic information
- Standard SMILES
O=C1CSC(c2cccc(Cl)c2)c2cc(C(=O)c3ccc(Cl)cc3)ccc2N1- InChIKey
LFZYDJVCMGLDOX-UHFFFAOYSA-N- Molecular formula
- C22H15Cl2NO2S
- Average molar mass
- 428.3 g/mol
Names & identifiers
- Preferred name
- 7-(4-chlorobenzoyl)-5-(3-chlorophenyl)-1,5-dihydro-4,1-benzothiazepin-2(3H)-one
- IUPAC
- 7-(4-chlorobenzoyl)-5-(3-chlorophenyl)-1,5-dihydro-4,1-benzothiazepin-2-one
Names & synonyms
SCHEMBL4371172LFZYDJVCMGLDOX-UHFFFAOYSA-N7-(4-chlorobenzoyl)-5-(3-chlorophenyl)-1,5-dihydro-4,1-benzothiazepin-2(3H)-one
Database identifiers
- PubChem CID
- 69019519
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 581
Related reactions
2 records
Compound notes
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