4-{1-[(3-chloro-2-fluorophenyl)carbamoyl]pyrrolidin-3-yl}-2-(dimethylamino)-N-(propan-2-yl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
4-{1-[(3-chloro-2-fluorophenyl)carbamoyl]pyrrolidin-3-yl}-2-(dimethylamino)-N-(propan-2-yl)pyrimidine-5-carboxamide
4-{1-[(3-chloro-2-fluorophenyl)carbamoyl]pyrrolidin-3-yl}-2-(dimethylamino)-N-(propan-2-yl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | SA01-1232 |
| Compound Name: | 4-{1-[(3-chloro-2-fluorophenyl)carbamoyl]pyrrolidin-3-yl}-2-(dimethylamino)-N-(propan-2-yl)pyrimidine-5-carboxamide |
| Molecular Weight: | 448.93 |
| Molecular Formula: | C21 H26 Cl F N6 O2 |
| Smiles: | CC(C)NC(c1cnc(nc1C1CCN(C1)C(Nc1cccc(c1F)[Cl])=O)N(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8996 |
| logD: | 3.8984 |
| logSw: | -4.2193 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.292 |
| InChI Key: | CSMJKJUVQGCOIT-CYBMUJFWSA-N |