5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carboxamide
5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0814 |
| Compound Name: | 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 408.93 |
| Molecular Formula: | C17 H17 Cl N4 O2 S2 |
| Smiles: | CCOc1ccc2c(c1)sc(NC(c1c(cnc(n1)SC(C)C)[Cl])=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 5.4553 |
| logD: | 5.4422 |
| logSw: | -5.9177 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.8 |
| InChI Key: | WNXKUAWTPVUVKG-UHFFFAOYSA-N |