N-(3-chloro-4-methylphenyl)-4-[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-4-[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
N-(3-chloro-4-methylphenyl)-4-[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | D574-0040 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-4-[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide |
| Molecular Weight: | 414.94 |
| Molecular Formula: | C21 H27 Cl N6 O |
| Smiles: | Cc1ccc(cc1[Cl])NC(N1CCN(CC1)c1cc(C)nc(n1)N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2905 |
| logD: | 5.2788 |
| logSw: | -5.8444 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.554 |
| InChI Key: | CLARHUBRCHASAQ-UHFFFAOYSA-N |