4-{[(3-methylphenyl)methyl]sulfanyl}-1-propyl-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one
Chemical Structure Depiction of
4-{[(3-methylphenyl)methyl]sulfanyl}-1-propyl-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one
4-{[(3-methylphenyl)methyl]sulfanyl}-1-propyl-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one
Compound characteristics
| Compound ID: | D468-0572 |
| Compound Name: | 4-{[(3-methylphenyl)methyl]sulfanyl}-1-propyl-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one |
| Molecular Weight: | 314.45 |
| Molecular Formula: | C18 H22 N2 O S |
| Smiles: | [H]C([H])(c1cccc(C)c1)SC1C2CCCC=2N(CCC)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2556 |
| logD: | 4.2556 |
| logSw: | -4.1933 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 24.7357 |
| InChI Key: | KHQDGHWLNGHFNT-UHFFFAOYSA-N |