2-{[4-(4-methylphenoxy)butyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[4-(4-methylphenoxy)butyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
2-{[4-(4-methylphenoxy)butyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
Compound characteristics
| Compound ID: | D467-0031 |
| Compound Name: | 2-{[4-(4-methylphenoxy)butyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one |
| Molecular Weight: | 330.45 |
| Molecular Formula: | C18 H22 N2 O2 S |
| Smiles: | Cc1ccc(cc1)OCCCCSC1NC(C2CCCC=2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.812 |
| logD: | 3.5907 |
| logSw: | -3.8279 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.256 |
| InChI Key: | ATPRXVZNPFHDKX-UHFFFAOYSA-N |