5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(phenylmethanesulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(phenylmethanesulfonyl)pyrimidine-4-carboxamide
5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(phenylmethanesulfonyl)pyrimidine-4-carboxamide
Compound characteristics
Compound ID: | D233-0869 |
Compound Name: | 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(phenylmethanesulfonyl)pyrimidine-4-carboxamide |
Molecular Weight: | 423.9 |
Molecular Formula: | C16 H14 Cl N5 O3 S2 |
Smiles: | [H]N(C(c1c(cnc(n1)S(Cc1ccccc1)(=O)=O)[Cl])=O)c1nnc(CC)s1 |
Stereo: | ACHIRAL |
logP: | 3.0446 |
logD: | 0.0738 |
logSw: | -3.4992 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 95.548 |
InChI Key: | KQXGUMFOKFQRCK-UHFFFAOYSA-N |