2-phenyl-3-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Basic information
- CAS
297762-57-3- Standard SMILES
CC(Cc1ccccc1)n1c(-c2ccccc2)nc2sc3c(c2c1=O)CCCC3- InChIKey
SXAULMGPHGRASJ-UHFFFAOYSA-N- Molecular formula
- C25H24N2OS
- Average molar mass
- 400.5 g/mol
- Monoisotopic mass
- 400.16093457
Names & identifiers
- Preferred name
- 2-phenyl-3-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
- IUPAC
- 2-phenyl-3-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Names & synonyms
2-phenyl-3-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-oneOprea1_679842DTXSID801118355STK371395AKOS005445840297762-57-3ST508991423-(1-methyl-2-phenylethyl)-2-phenyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3- d]pyrimidin-4-one5,6,7,8-Tetrahydro-3-(1-methyl-2-phenylethyl)-2-phenyl[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Database identifiers
- CAS
297762-57-3- PubChem CID
- 3301029
- DTXSID
DTXSID801118355
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 622
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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