5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D244-0090 |
| Compound Name: | 5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide |
| Molecular Weight: | 440.97 |
| Molecular Formula: | C21 H17 Cl N4 O S2 |
| Smiles: | Cc1ccc2c(c1)sc(NC(c1c(cnc(n1)SCc1ccccc1C)[Cl])=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 6.8798 |
| logD: | 6.8618 |
| logSw: | -6.325 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.405 |
| InChI Key: | PZHFLFIVXQWKHC-UHFFFAOYSA-N |