5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D244-0185 |
| Compound Name: | 5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide |
| Molecular Weight: | 440.97 |
| Molecular Formula: | C21 H17 Cl N4 O S2 |
| Smiles: | Cc1cccc(CSc2ncc(c(C(Nc3nc4ccc(C)cc4s3)=O)n2)[Cl])c1 |
| Stereo: | ACHIRAL |
| logP: | 6.7262 |
| logD: | 6.7082 |
| logSw: | -6.3251 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.405 |
| InChI Key: | PNDLEABQAPGWFR-UHFFFAOYSA-N |