2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
Compound characteristics
| Compound ID: | D467-0025 |
| Compound Name: | 2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one |
| Molecular Weight: | 302.39 |
| Molecular Formula: | C16 H18 N2 O2 S |
| Smiles: | Cc1ccc(cc1)OCCSC1NC(C2CCCC=2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7701 |
| logD: | 2.5488 |
| logSw: | -3.2718 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.256 |
| InChI Key: | HAGOTKVKOHPIMM-UHFFFAOYSA-N |