3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-2-sulfanylidene-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-2-sulfanylidene-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-2-sulfanylidene-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | K256-0062 |
| Compound Name: | 3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-2-sulfanylidene-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 397.5 |
| Molecular Formula: | C20 H23 N5 O2 S |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)CCN1C(c2cccnc2NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5039 |
| logD: | 2.3899 |
| logSw: | -2.9754 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.707 |
| InChI Key: | CYJNMLWQFLXWAH-UHFFFAOYSA-N |