5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(3-methylphenyl)methanesulfonyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(3-methylphenyl)methanesulfonyl]pyrimidine-4-carboxamide
5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(3-methylphenyl)methanesulfonyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D244-0341 |
| Compound Name: | 5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(3-methylphenyl)methanesulfonyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 488.97 |
| Molecular Formula: | C21 H17 Cl N4 O4 S2 |
| Smiles: | Cc1cccc(CS(c2ncc(c(C(Nc3nc4ccc(cc4s3)OC)=O)n2)[Cl])(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.2037 |
| logD: | 5.0597 |
| logSw: | -5.7018 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.813 |
| InChI Key: | OGJYXMBMNSHUKV-UHFFFAOYSA-N |