4-(6-chloro-2-{[2-(diethylamino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide
Chemical Structure Depiction of
4-(6-chloro-2-{[2-(diethylamino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide
4-(6-chloro-2-{[2-(diethylamino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide
Compound characteristics
| Compound ID: | V014-9856 |
| Compound Name: | 4-(6-chloro-2-{[2-(diethylamino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide |
| Molecular Weight: | 511.47 |
| Molecular Formula: | C22 H28 Cl2 N6 O2 S |
| Salt: | not_available |
| Smiles: | CCN(CC)C(CSc1nc(cc(n1)[Cl])N1CCN(C(C)C1)C(Nc1cccc(c1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8323 |
| logD: | 4.8323 |
| logSw: | -4.7313 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.215 |
| InChI Key: | ZDRHZOKUDZMTGR-HNNXBMFYSA-N |