2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
Compound characteristics
| Compound ID: | D365-0161 |
| Compound Name: | 2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one |
| Molecular Weight: | 300.38 |
| Molecular Formula: | C16 H16 N2 O2 S |
| Smiles: | Cc1ccc(cc1)C(CSC1NC(C2CCCC=2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1981 |
| logD: | 2.0347 |
| logSw: | -2.666 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.085 |
| InChI Key: | JIWAACFGLDSRSL-UHFFFAOYSA-N |