[2,5-dimethyl-4-(piperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl][4-(4-nitrophenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
[2,5-dimethyl-4-(piperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl][4-(4-nitrophenyl)piperazin-1-yl]methanone
[2,5-dimethyl-4-(piperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl][4-(4-nitrophenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | K889-0175 |
| Compound Name: | [2,5-dimethyl-4-(piperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl][4-(4-nitrophenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 480.59 |
| Molecular Formula: | C24 H28 N6 O3 S |
| Smiles: | Cc1c2c(nc(C)nc2sc1C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)N1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.8902 |
| logD: | 3.8737 |
| logSw: | -4.7291 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 76.203 |
| InChI Key: | ICJISEPRLSOZEO-UHFFFAOYSA-N |