5-chloro-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
5-chloro-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0416 |
| Compound Name: | 5-chloro-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 474.96 |
| Molecular Formula: | C16 H15 Cl N4 O5 S3 |
| Smiles: | [H]N(C(c1c(cnc(n1)S(CCC)(=O)=O)[Cl])=O)c1nc2ccc(cc2s1)S(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3301 |
| logD: | 1.7814 |
| logSw: | -3.3412 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.289 |
| InChI Key: | UMMAPTFQIZJBDZ-UHFFFAOYSA-N |