4-{[(2-chlorophenyl)methyl]sulfanyl}-1-(4-methylphenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one
Chemical Structure Depiction of
4-{[(2-chlorophenyl)methyl]sulfanyl}-1-(4-methylphenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one
4-{[(2-chlorophenyl)methyl]sulfanyl}-1-(4-methylphenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one
Compound characteristics
| Compound ID: | D468-1008 |
| Compound Name: | 4-{[(2-chlorophenyl)methyl]sulfanyl}-1-(4-methylphenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one |
| Molecular Weight: | 382.91 |
| Molecular Formula: | C21 H19 Cl N2 O S |
| Smiles: | [H]C([H])(c1ccccc1[Cl])SC1C2CCCC=2N(C(N=1)=O)c1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0281 |
| logD: | 5.0281 |
| logSw: | -5.0662 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 23.8743 |
| InChI Key: | CTOKMTRSTNVISF-UHFFFAOYSA-N |