5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-{[(2-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-{[(2-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-{[(2-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0719 |
| Compound Name: | 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-{[(2-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carboxamide |
| Molecular Weight: | 474.96 |
| Molecular Formula: | C21 H16 Cl F N4 O2 S2 |
| Smiles: | CCOc1ccc2c(c1)sc(NC(c1c(cnc(n1)SCc1ccccc1F)[Cl])=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 6.4217 |
| logD: | 6.4085 |
| logSw: | -6.1356 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.528 |
| InChI Key: | QWCYYKGQVHQRCK-UHFFFAOYSA-N |