5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxamide
5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0847 |
| Compound Name: | 5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 476.93 |
| Molecular Formula: | C20 H14 Cl F N4 O3 S2 |
| Smiles: | Cc1ccc(CS(c2ncc(c(C(Nc3nc4ccc(cc4s3)F)=O)n2)[Cl])(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.696 |
| logD: | 4.4427 |
| logSw: | -4.8218 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.269 |
| InChI Key: | WYXHOQHVWJYPNH-UHFFFAOYSA-N |