5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(ethylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(ethylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(ethylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0366 |
| Compound Name: | 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(ethylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 394.9 |
| Molecular Formula: | C16 H15 Cl N4 O2 S2 |
| Smiles: | CCOc1ccc2c(c1)sc(NC(c1c(cnc(n1)SCC)[Cl])=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 5.0513 |
| logD: | 5.0382 |
| logSw: | -5.2216 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.8 |
| InChI Key: | IRFJIIRDVHJYAQ-UHFFFAOYSA-N |