5-chloro-2-(ethanesulfonyl)-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-2-(ethanesulfonyl)-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]pyrimidine-4-carboxamide
5-chloro-2-(ethanesulfonyl)-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]pyrimidine-4-carboxamide
Compound characteristics
Compound ID: | D053-0334 |
Compound Name: | 5-chloro-2-(ethanesulfonyl)-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]pyrimidine-4-carboxamide |
Molecular Weight: | 460.93 |
Molecular Formula: | C15 H13 Cl N4 O5 S3 |
Smiles: | [H]N(C(c1c(cnc(n1)S(CC)(=O)=O)[Cl])=O)c1nc2ccc(cc2s1)S(C)(=O)=O |
Stereo: | ACHIRAL |
logP: | 1.8754 |
logD: | 1.3267 |
logSw: | -2.9722 |
Hydrogen bond acceptors count: | 13 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 111.289 |
InChI Key: | YQJBCINMZFSNRX-UHFFFAOYSA-N |