5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D244-0093 |
| Compound Name: | 5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide |
| Molecular Weight: | 456.97 |
| Molecular Formula: | C21 H17 Cl N4 O2 S2 |
| Smiles: | Cc1ccccc1CSc1ncc(c(C(Nc2nc3ccc(cc3s2)OC)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.5477 |
| logD: | 6.5346 |
| logSw: | -6.1679 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.949 |
| InChI Key: | FIXHKKUMNXHNBC-UHFFFAOYSA-N |