4-[6-chloro-2-({2-oxo-2-[(propan-2-yl)amino]ethyl}sulfanyl)pyrimidin-4-yl]-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide
Chemical Structure Depiction of
4-[6-chloro-2-({2-oxo-2-[(propan-2-yl)amino]ethyl}sulfanyl)pyrimidin-4-yl]-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide
4-[6-chloro-2-({2-oxo-2-[(propan-2-yl)amino]ethyl}sulfanyl)pyrimidin-4-yl]-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide
Compound characteristics
| Compound ID: | V014-9785 |
| Compound Name: | 4-[6-chloro-2-({2-oxo-2-[(propan-2-yl)amino]ethyl}sulfanyl)pyrimidin-4-yl]-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide |
| Molecular Weight: | 497.45 |
| Molecular Formula: | C21 H26 Cl2 N6 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)NC(CSc1nc(cc(n1)[Cl])N1CCN(C(C)C1)C(Nc1cccc(c1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4485 |
| logD: | 4.4485 |
| logSw: | -4.4648 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.256 |
| InChI Key: | MXCPQQLIINJGHR-AWEZNQCLSA-N |