5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(phenylmethanesulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(phenylmethanesulfonyl)pyrimidine-4-carboxamide
5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(phenylmethanesulfonyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0885 |
| Compound Name: | 5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(phenylmethanesulfonyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 462.91 |
| Molecular Formula: | C19 H12 Cl F N4 O3 S2 |
| Smiles: | C(c1ccccc1)S(c1ncc(c(C(Nc2nc3ccc(cc3s2)F)=O)n1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2726 |
| logD: | 4.0193 |
| logSw: | -4.436 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.269 |
| InChI Key: | VRHSEEMPUUHDPH-UHFFFAOYSA-N |