5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0465 |
| Compound Name: | 5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 410.9 |
| Molecular Formula: | C16 H15 Cl N4 O3 S2 |
| Smiles: | CCCS(c1ncc(c(C(Nc2nc3ccc(C)cc3s2)=O)n1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0333 |
| logD: | 3.8454 |
| logSw: | -4.2357 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.54 |
| InChI Key: | NPQDHLVVCSEUMK-UHFFFAOYSA-N |