4-[6-chloro-2-({2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)pyrimidin-4-yl]-N-ethyl-2-methylpiperazine-1-carboxamide
Chemical Structure Depiction of
4-[6-chloro-2-({2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)pyrimidin-4-yl]-N-ethyl-2-methylpiperazine-1-carboxamide
4-[6-chloro-2-({2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)pyrimidin-4-yl]-N-ethyl-2-methylpiperazine-1-carboxamide
Compound characteristics
| Compound ID: | V014-9569 |
| Compound Name: | 4-[6-chloro-2-({2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)pyrimidin-4-yl]-N-ethyl-2-methylpiperazine-1-carboxamide |
| Molecular Weight: | 563.08 |
| Molecular Formula: | C24 H31 Cl N8 O4 S |
| Salt: | not_available |
| Smiles: | CCNC(N1CCN(CC1C)c1cc(nc(n1)SCC(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6423 |
| logD: | 3.6423 |
| logSw: | -3.9796 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.792 |
| InChI Key: | SFJZVTNDVGDUHS-KRWDZBQOSA-N |