4,6,7,8-Tetrahydro-6-methyl-4-phenylthieno(2,3-E)(1,2)oxazepine

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Basic information

CAS: 76356-29-1
Standard SMILES: CN1CCc2sccc2C(c2ccccc2)O1
InChIKey: IRTBFEIWQUVQNQ-UHFFFAOYSA-N
Molecular formula: C14H15NOS
Average molar mass: 245.34 g/mol
Monoisotopic mass: 245.08743528

Names & identifiers

Preferred name: 4,6,7,8-Tetrahydro-6-methyl-4-phenylthieno(2,3-E)(1,2)oxazepine
IUPAC: 6-methyl-4-phenyl-7,8-dihydro-4H-thieno[2,3-e]oxazepine

Names & synonyms

76356-29-1ID5I0NQ6UVUNII-ID5I0NQ6UVNSC 351962NSC-3519626-Methyl-4-phenyl-4,6,7,8-tetrahydrothieno[2,3-e][1,2]oxazepine4,6,7,8-Tetrahydro-6-methyl-4-phenylthieno(2,3-E)(1,2)oxazepine6-Methyl-4-phenyl-4,6,7,8-tetrahydrothieno(2,3-e)(1,2)oxazepineTHIENO(2,3-E)(1,2)OXAZEPINE, 4,6,7,8-TETRAHYDRO-6-METHYL-4-PHENYL-RefChem:198503NSC3519626-methyl-4-phenyl-7,8-dihydro-4H-thieno[2,3-e]oxazepine

Database identifiers

CAS: 76356-29-1
PubChem CID: 336759
UNII: ID5I0NQ6UV

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 40.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 255

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Compound notes

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