3-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-sulfanylidene-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-sulfanylidene-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
3-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-sulfanylidene-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | K256-0063 |
| Compound Name: | 3-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-sulfanylidene-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 401.92 |
| Molecular Formula: | C19 H20 Cl N5 O S |
| Smiles: | C1CN(CCN1CCN1C(c2cccnc2NC1=S)=O)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.9836 |
| logD: | 2.8696 |
| logSw: | -3.7229 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.163 |
| InChI Key: | IBBCDXXQCSKUMB-UHFFFAOYSA-N |