5-chloro-2-(propane-1-sulfonyl)-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-2-(propane-1-sulfonyl)-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrimidine-4-carboxamide
5-chloro-2-(propane-1-sulfonyl)-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0447 |
| Compound Name: | 5-chloro-2-(propane-1-sulfonyl)-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrimidine-4-carboxamide |
| Molecular Weight: | 419.93 |
| Molecular Formula: | C13 H14 Cl N5 O3 S3 |
| Smiles: | [H]N(C(c1c(cnc(n1)S(CCC)(=O)=O)[Cl])=O)c1nnc(SCC=C)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.4629 |
| logD: | 2.086 |
| logSw: | -3.6449 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.685 |
| InChI Key: | SWEKKBOIEDNSMG-UHFFFAOYSA-N |