5-chloro-2-(ethylsulfanyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-2-(ethylsulfanyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide
5-chloro-2-(ethylsulfanyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0363 |
| Compound Name: | 5-chloro-2-(ethylsulfanyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide |
| Molecular Weight: | 368.84 |
| Molecular Formula: | C14 H10 Cl F N4 O S2 |
| Smiles: | CCSc1ncc(c(C(Nc2nc3ccc(cc3s2)F)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.6569 |
| logD: | 4.6308 |
| logSw: | -4.7646 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.676 |
| InChI Key: | MNNUVUUVKGHRDO-UHFFFAOYSA-N |