Basic information
- Standard SMILES
Cl.O=C(NCCCCc1ccncc1)N1Cc2ccccc2Sc2ccc(Cl)cc21- InChIKey
VKXQDQWEOBMGGC-UHFFFAOYSA-N- Molecular formula
- C23H23Cl2N3OS
- Average molar mass
- 460.4 g/mol
Names & identifiers
- Preferred name
- 8-chloro-N-[4-(4-pyridinyl)butyl]dibenzo[b,f][1,4]thiazepine-10(11H)-carboxamide, monohydrochloride
- IUPAC
- 3-chloro-N-(4-pyridin-4-ylbutyl)-6H-benzo[b][1,4]benzothiazepine-5-carboxamide;hydrochloride
Names & synonyms
8-chloro-N-[4-(4-pyridinyl)butyl]dibenzo[b,f][1,4]thiazepine-10(11H)-carboxamide, monohydrochloride8-chloro-N-[4-(4-pyridinyl]butyl]dibenzo[b,f][1,4]thiazepine-10(11H)-carboxamide, monohydrochlorideVKXQDQWEOBMGGC-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 131719085
Properties
Computed structural properties
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 530
Related reactions
2 records
Compound notes
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