Basic information
- CAS
5667-03-8- Standard SMILES
O=C1C=C(c2ccccc2)Sc2ccccc2N1- InChIKey
DWHHMNUHVCUPMD-UHFFFAOYSA-N- Molecular formula
- C15H11NOS
- Average molar mass
- 253.32 g/mol
- Monoisotopic mass
- 253.05613515
Names & identifiers
- Preferred name
- 2-Phenyl-1,5-benzothiazepin-4-one
- IUPAC
- 2-phenyl-5H-1,5-benzothiazepin-4-one
- English name
- 2-Phenyl-1,5-benzothiazepin-4(5H)-one
- Molecular weight
- 0
Names & synonyms
2-Phenyl-1,5-benzothiazepin-4(5H)-one5667-03-81,5-Benzothiazepin-4(5H)-one, 2-phenyl-GY9G7G8M0K2-Phenyl-1,5-benzothiazepin-4-oneUNII-GY9G7G8M0KNSC 167704NSC-167704BRN 0747523DTXSID80205233RefChem:197920DTXCID80127724
Show more names
2-phenyl-5H-1,5-benzothiazepin-4-oneNSC167704SCHEMBL9429121AKOS003745994AO-435/41051568SR-01000105822SR-01000105822-1
Database identifiers
- CAS
5667-03-8- PubChem CID
- 79749
- DTXSID
DTXSID80205233- UNII
- GY9G7G8M0K
- Nikkaji
- J41.980J
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- FDA UNII
- 9 G7G8M0K · GY9G7G8M0K
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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