5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0629 |
| Compound Name: | 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 341.84 |
| Molecular Formula: | C12 H12 Cl N5 O S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCC=C)[Cl])=O)c1nnc(CC)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.6879 |
| logD: | 1.8184 |
| logSw: | -3.8311 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.955 |
| InChI Key: | VZGYNRQMFNHYCM-UHFFFAOYSA-N |