(2H-1,3-benzodioxol-5-yl){4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl}methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl){4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl}methanone
(2H-1,3-benzodioxol-5-yl){4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | D430-0265 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl){4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl}methanone |
| Molecular Weight: | 431.49 |
| Molecular Formula: | C24 H25 N5 O3 |
| Smiles: | Cc1ccc(cc1)Nc1cc(nc(C)n1)N1CCN(CC1)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.266 |
| logD: | 3.7499 |
| logSw: | -4.2298 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.39 |
| InChI Key: | DKCIMYFULQLJKE-UHFFFAOYSA-N |