4-(4-chlorophenyl)-6-oxo-2-{[2-(piperidin-1-yl)ethyl]sulfanyl}-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-chlorophenyl)-6-oxo-2-{[2-(piperidin-1-yl)ethyl]sulfanyl}-1,6-dihydropyrimidine-5-carbonitrile
4-(4-chlorophenyl)-6-oxo-2-{[2-(piperidin-1-yl)ethyl]sulfanyl}-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-1002 |
| Compound Name: | 4-(4-chlorophenyl)-6-oxo-2-{[2-(piperidin-1-yl)ethyl]sulfanyl}-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 374.89 |
| Molecular Formula: | C18 H19 Cl N4 O S |
| Smiles: | C1CCN(CC1)CCSC1NC(C(C#N)=C(c2ccc(cc2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.231 |
| logD: | 3.231 |
| logSw: | -3.9305 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.421 |
| InChI Key: | SKPXVTCQXMQVFA-UHFFFAOYSA-N |