3-Ethoxy-5-phenyl-2,3-dihydro-1,4-benzothiazepine
Basic information
- CAS
78134-70-0- Standard SMILES
CCOC1CSc2ccccc2C(c2ccccc2)=N1- InChIKey
MAIYTAQSKUNZHK-UHFFFAOYSA-N- Molecular formula
- C17H17NOS
- Average molar mass
- 283.4 g/mol
- Monoisotopic mass
- 283.10308534
Names & identifiers
- Preferred name
- 3-Ethoxy-5-phenyl-2,3-dihydro-1,4-benzothiazepine
- IUPAC
- 3-ethoxy-5-phenyl-2,3-dihydro-1,4-benzothiazepine
Names & synonyms
3-Ethoxy-5-phenyl-2,3-dihydro-1,4-benzothiazepine78134-70-0NSC358123NSC 358123NSC-35812327T3JT8UQ93-Ethoxy-2,3-dihydro-5-phenyl-1,4-benzothiazepine1,4-Benzothiazepine, 3-ethoxy-2,3-dihydro-5-phenyl-Ethyl 5-phenyl-2,3-dihydro-1,4-benzothiazepin-3-yl ether
Database identifiers
- CAS
78134-70-0- PubChem CID
- 337918
- UNII
- 27T3JT8UQ9
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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