{4-[6-(2-chloro-5-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}(3-nitrophenyl)methanone
Chemical Structure Depiction of
{4-[6-(2-chloro-5-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}(3-nitrophenyl)methanone
{4-[6-(2-chloro-5-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}(3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V027-6814 |
| Compound Name: | {4-[6-(2-chloro-5-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}(3-nitrophenyl)methanone |
| Molecular Weight: | 467.91 |
| Molecular Formula: | C23 H22 Cl N5 O4 |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(c1cccc(c1)[N+]([O-])=O)=O)c1cc(ncn1)Oc1cc(C)ccc1[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5466 |
| logD: | 4.5466 |
| logSw: | -4.7534 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.755 |
| InChI Key: | KSDARQZGZGMNNR-INIZCTEOSA-N |