DIBENZO(b,f)THIEPIN, 7-(2-(DIMETHYLAMINO)ETHOXY)-11-ETHYL-10-PHENYL-
Basic information
- CAS
85850-77-7- Standard SMILES
CCC1=C(c2ccccc2)c2ccc(OCCN(C)C)cc2Sc2ccccc21- InChIKey
XIXFFCIPCNOXSS-UHFFFAOYSA-N- Molecular formula
- C26H27NOS
- Average molar mass
- 401.6 g/mol
- Monoisotopic mass
- 401.18133566
Names & identifiers
- Preferred name
- DIBENZO(b,f)THIEPIN, 7-(2-(DIMETHYLAMINO)ETHOXY)-11-ETHYL-10-PHENYL-
- IUPAC
- 2-(6-ethyl-5-phenylbenzo[b][1]benzothiepin-2-yl)oxy-N,N-dimethylethanamine
Names & synonyms
DIBENZO(b,f)THIEPIN, 7-(2-(DIMETHYLAMINO)ETHOXY)-11-ETHYL-10-PHENYL-Y1I5UJA60F85850-77-77-(2-(Dimethylamino)ethoxy)-11-ethyl-10-phenyl dibenzo(b,f)thiepinBRN 56233977-(2-(Dimethylamino)ethoxy)-11-ethyl-10-phenyldibenzo(b,f)thiepinUNII-Y1I5UJA60FEthylamine, N,N-dimethyl-2-((10-ethyl-11-phenyldibenzo(b,f)thiepin-3-yl)oxy)-CHEMBL280049DTXSID002351182-[(10-Ethyl-11-phenyldibenzo[b,f]thiepin-3-yl)oxy]-N,N-dimethylethan-1-amineETHANAMINE, 2-((10-ETHYL-11-PHENYLDIBENZO(B,F)THIEPIN-3-YL)OXY)-N,N-DIMETHYL-
Database identifiers
- CAS
85850-77-7- PubChem CID
- 55407
- DTXSID
DTXSID00235118- ChEMBL
CHEMBL280049- UNII
- Y1I5UJA60F
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 553
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Compound notes
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