4-anilino-2-[4-(pyrimidin-2-yl)piperazin-1-yl]-7,8-dihydroquinazolin-5(6H)-one
Chemical Structure Depiction of
4-anilino-2-[4-(pyrimidin-2-yl)piperazin-1-yl]-7,8-dihydroquinazolin-5(6H)-one
4-anilino-2-[4-(pyrimidin-2-yl)piperazin-1-yl]-7,8-dihydroquinazolin-5(6H)-one
Compound characteristics
| Compound ID: | Y020-3399 |
| Compound Name: | 4-anilino-2-[4-(pyrimidin-2-yl)piperazin-1-yl]-7,8-dihydroquinazolin-5(6H)-one |
| Molecular Weight: | 401.47 |
| Molecular Formula: | C22 H23 N7 O |
| Smiles: | C1CC(c2c(C1)nc(nc2Nc1ccccc1)N1CCN(CC1)c1ncccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0235 |
| logD: | 4.0233 |
| logSw: | -4.3185 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.033 |
| InChI Key: | PJGDYQPEUIABCE-UHFFFAOYSA-N |