4-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1-phenyl-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one
Chemical Structure Depiction of
4-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1-phenyl-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one
4-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1-phenyl-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one
Compound characteristics
| Compound ID: | D468-0960 |
| Compound Name: | 4-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1-phenyl-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one |
| Molecular Weight: | 376.48 |
| Molecular Formula: | C22 H20 N2 O2 S |
| Smiles: | [H]C([H])(C(c1ccc(C)cc1)=O)SC1C2CCCC=2N(C(N=1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.773 |
| logD: | 3.7727 |
| logSw: | -3.9406 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 37.121 |
| InChI Key: | MLRGWWNHEBQRTF-UHFFFAOYSA-N |