2,3,5,6,7,8-Hexahydro-2-[3-(phenylmethoxy)phenyl][1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Basic information
- CAS
454201-15-1- Standard SMILES
O=C1NC(c2cccc(OCc3ccccc3)c2)Nc2sc3c(c21)CCCC3- InChIKey
XXZRGFMIEXJGCD-UHFFFAOYSA-N- Molecular formula
- C23H22N2O2S
- Average molar mass
- 390.5 g/mol
- Monoisotopic mass
- 390.14019912
Names & identifiers
- Preferred name
- 2,3,5,6,7,8-Hexahydro-2-[3-(phenylmethoxy)phenyl][1]benzothieno[2,3-d]pyrimidin-4(1H)-one
- IUPAC
- 2-(3-phenylmethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Names & synonyms
Oprea1_762630DTXSID101122640AKOS0002969782,3,5,6,7,8-Hexahydro-2-[3-(phenylmethoxy)phenyl][1]benzothieno[2,3-d]pyrimidin-4(1H)-one454201-15-12-[3-(Benzyloxy)phenyl]-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Database identifiers
- CAS
454201-15-1- PubChem CID
- 4772867
- DTXSID
DTXSID101122640
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 553
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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