{[1-(4-chlorophenyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[1-(4-chlorophenyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl]sulfanyl}acetonitrile
{[1-(4-chlorophenyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | D468-1091 |
| Compound Name: | {[1-(4-chlorophenyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 317.79 |
| Molecular Formula: | C15 H12 Cl N3 O S |
| Smiles: | [H]C([H])(C#N)SC1C2CCCC=2N(C(N=1)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.5272 |
| logD: | 2.527 |
| logSw: | -2.9286 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.638 |
| InChI Key: | BMLXBXGYRJNAPM-UHFFFAOYSA-N |