N-butyl-4-[6-(2-chloro-5-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazine-1-carboxamide
Chemical Structure Depiction of
N-butyl-4-[6-(2-chloro-5-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazine-1-carboxamide
N-butyl-4-[6-(2-chloro-5-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazine-1-carboxamide
Compound characteristics
| Compound ID: | V027-6602 |
| Compound Name: | N-butyl-4-[6-(2-chloro-5-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazine-1-carboxamide |
| Molecular Weight: | 417.94 |
| Molecular Formula: | C21 H28 Cl N5 O2 |
| Smiles: | CCCCNC(N1CCN(CC1C)c1cc(ncn1)Oc1cc(C)ccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9065 |
| logD: | 4.9065 |
| logSw: | -4.9977 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.63 |
| InChI Key: | FNMFRUKMVOGULO-INIZCTEOSA-N |