5-chloro-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-2-(propylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-2-(propylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-2-(propylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0472 |
| Compound Name: | 5-chloro-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-2-(propylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 442.96 |
| Molecular Formula: | C16 H15 Cl N4 O3 S3 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCCC)[Cl])=O)c1nc2ccc(cc2s1)S(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6259 |
| logD: | 3.5473 |
| logSw: | -3.8324 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.425 |
| InChI Key: | GCKRVFRMJSGBPE-UHFFFAOYSA-N |