2-{[(2-methylphenyl)methyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(2-methylphenyl)methyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
2-{[(2-methylphenyl)methyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C700-1353 |
| Compound Name: | 2-{[(2-methylphenyl)methyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one |
| Molecular Weight: | 272.37 |
| Molecular Formula: | C15 H16 N2 O S |
| Smiles: | Cc1ccccc1CSC1NC(C2CCCC=2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0497 |
| logD: | 2.9087 |
| logSw: | -3.2852 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.838 |
| InChI Key: | JKJHAQYGPRAOGN-UHFFFAOYSA-N |