5-chloro-2-(methanesulfonyl)-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-2-(methanesulfonyl)-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrimidine-4-carboxamide
5-chloro-2-(methanesulfonyl)-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrimidine-4-carboxamide
Compound characteristics
Compound ID: | D053-0295 |
Compound Name: | 5-chloro-2-(methanesulfonyl)-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrimidine-4-carboxamide |
Molecular Weight: | 391.87 |
Molecular Formula: | C11 H10 Cl N5 O3 S3 |
Smiles: | [H]N(C(c1c(cnc(n1)S(C)(=O)=O)[Cl])=O)c1nnc(SCC=C)s1 |
Stereo: | ACHIRAL |
logP: | 2.3576 |
logD: | 0.9807 |
logSw: | -3.1899 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 95.397 |
InChI Key: | JKAWMMSNOQJJOG-UHFFFAOYSA-N |