2-{[(4-nitrophenyl)methyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(4-nitrophenyl)methyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
2-{[(4-nitrophenyl)methyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
Compound characteristics
| Compound ID: | D365-0272 |
| Compound Name: | 2-{[(4-nitrophenyl)methyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one |
| Molecular Weight: | 303.34 |
| Molecular Formula: | C14 H13 N3 O3 S |
| Smiles: | C1CC2=C(C1)N=C(NC2=O)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.8976 |
| logD: | 1.7567 |
| logSw: | -2.4334 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.219 |
| InChI Key: | UOYOUXVOGKGLHC-UHFFFAOYSA-N |