5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(2-methylphenyl)methanesulfonyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(2-methylphenyl)methanesulfonyl]pyrimidine-4-carboxamide
5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(2-methylphenyl)methanesulfonyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D244-0264 |
| Compound Name: | 5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(2-methylphenyl)methanesulfonyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 476.93 |
| Molecular Formula: | C20 H14 Cl F N4 O3 S2 |
| Smiles: | Cc1ccccc1CS(c1ncc(c(C(Nc2nc3ccc(cc3s2)F)=O)n1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3282 |
| logD: | 5.0749 |
| logSw: | -5.8602 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.269 |
| InChI Key: | DBVOQOGVMWNMLG-UHFFFAOYSA-N |