2-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
2-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
Compound characteristics
| Compound ID: | D467-0038 |
| Compound Name: | 2-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one |
| Molecular Weight: | 318.39 |
| Molecular Formula: | C16 H18 N2 O3 S |
| Smiles: | COc1ccc(cc1)OCCSC1NC(C2CCCC=2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3291 |
| logD: | 2.1078 |
| logSw: | -2.8693 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.799 |
| InChI Key: | KBUMVLDKTBNCAF-UHFFFAOYSA-N |