Basic information
- CAS
85850-82-4- Standard SMILES
C=CCOc1ccc2c(c1)Sc1ccccc1C(CC)=C2c1ccccc1- InChIKey
APQMFLLGRLEOTE-UHFFFAOYSA-N- Molecular formula
- C25H22OS
- Average molar mass
- 370.5 g/mol
- Monoisotopic mass
- 370.13913649
Names & identifiers
- Preferred name
- DIBENZO(b,f)THIEPIN, 3-(ALLYLOXY)-10-ETHYL-11-PHENYL-
- IUPAC
- 6-ethyl-5-phenyl-2-prop-2-enoxybenzo[b][1]benzothiepine
Names & synonyms
DIBENZO(b,f)THIEPIN, 3-(ALLYLOXY)-10-ETHYL-11-PHENYL-KJR8G40Q9L85850-82-43-(Allyloxy)-10-ethyl-11-phenyl dibenzo(b,f)thiepinBRN 56111813-(Allyloxy)-10-ethyl-11-phenyldibenzo(b,f)thiepinUNII-KJR8G40Q9LCHEMBL14560DTXSID7023512010-Ethyl-11-phenyl-3-[(prop-2-en-1-yl)oxy]dibenzo[b,f]thiepineDIBENZO(B,F)THIEPIN, 10-ETHYL-11-PHENYL-3-(2-PROPEN-1-YLOXY)-
Database identifiers
- CAS
85850-82-4- PubChem CID
- 55409
- DTXSID
DTXSID70235120- ChEMBL
CHEMBL14560- UNII
- KJR8G40Q9L
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 532
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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