5-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0256 |
| Compound Name: | 5-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-2-(methylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 371.26 |
| Molecular Formula: | C13 H8 Cl2 N4 O S2 |
| Smiles: | CSc1ncc(c(C(Nc2nc3ccc(cc3s2)[Cl])=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.8302 |
| logD: | 4.643 |
| logSw: | -4.9445 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.676 |
| InChI Key: | JJVBZJKGWWKWNT-UHFFFAOYSA-N |