5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(2-methylphenyl)methanesulfonyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(2-methylphenyl)methanesulfonyl]pyrimidine-4-carboxamide
5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(2-methylphenyl)methanesulfonyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D244-0263 |
| Compound Name: | 5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(2-methylphenyl)methanesulfonyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 472.97 |
| Molecular Formula: | C21 H17 Cl N4 O3 S2 |
| Smiles: | Cc1ccc2c(c1)sc(NC(c1c(cnc(n1)S(Cc1ccccc1C)(=O)=O)[Cl])=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 5.6672 |
| logD: | 5.4793 |
| logSw: | -5.9114 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.269 |
| InChI Key: | HFJZBNFXTSCDHA-UHFFFAOYSA-N |