2-{[4-(4-chlorophenoxy)butyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[4-(4-chlorophenoxy)butyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
2-{[4-(4-chlorophenoxy)butyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
Compound characteristics
| Compound ID: | D467-0036 |
| Compound Name: | 2-{[4-(4-chlorophenoxy)butyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one |
| Molecular Weight: | 350.87 |
| Molecular Formula: | C17 H19 Cl N2 O2 S |
| Smiles: | C1CC2=C(C1)N=C(NC2=O)SCCCCOc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.9833 |
| logD: | 3.762 |
| logSw: | -4.4886 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.256 |
| InChI Key: | JHEWNARRFVFJRO-UHFFFAOYSA-N |