5-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
5-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0420 |
| Compound Name: | 5-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 487 |
| Molecular Formula: | C22 H19 Cl N4 O3 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)S(CCC)(=O)=O)[Cl])=O)c1ccc(cc1)c1nc2ccc(C)cc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.1882 |
| logD: | 5.183 |
| logSw: | -5.6318 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.228 |
| InChI Key: | RKXOOSDAMFXFRA-UHFFFAOYSA-N |