5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(propylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(propylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(propylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0567 |
| Compound Name: | 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(propylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 408.93 |
| Molecular Formula: | C17 H17 Cl N4 O2 S2 |
| Smiles: | CCCSc1ncc(c(C(Nc2nc3ccc(cc3s2)OCC)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.3846 |
| logD: | 5.3714 |
| logSw: | -5.911 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.8 |
| InChI Key: | ZWCYUGSLGCKSAR-UHFFFAOYSA-N |