5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0594 |
| Compound Name: | 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide |
| Molecular Weight: | 471 |
| Molecular Formula: | C22 H19 Cl N4 O2 S2 |
| Smiles: | CCOc1ccc2c(c1)sc(NC(c1c(cnc(n1)SCc1ccc(C)cc1)[Cl])=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 6.2809 |
| logD: | 6.2677 |
| logSw: | -6.1366 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.528 |
| InChI Key: | HBWVWJPRBQHWQQ-UHFFFAOYSA-N |