1-benzyl-4-{[2-(3-fluoro-4-methylphenyl)-2-oxoethyl]sulfanyl}-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one
Chemical Structure Depiction of
1-benzyl-4-{[2-(3-fluoro-4-methylphenyl)-2-oxoethyl]sulfanyl}-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one
1-benzyl-4-{[2-(3-fluoro-4-methylphenyl)-2-oxoethyl]sulfanyl}-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one
Compound characteristics
| Compound ID: | D468-0677 |
| Compound Name: | 1-benzyl-4-{[2-(3-fluoro-4-methylphenyl)-2-oxoethyl]sulfanyl}-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one |
| Molecular Weight: | 408.49 |
| Molecular Formula: | C23 H21 F N2 O2 S |
| Smiles: | [H]C([H])(C(c1ccc(C)c(c1)F)=O)SC1C2CCCC=2N(Cc2ccccc2)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8515 |
| logD: | 4.8515 |
| logSw: | -4.6041 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 37.733 |
| InChI Key: | HODDICDFLXSEFH-UHFFFAOYSA-N |