5-chloro-N-{5-[(3-phenylprop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-(propylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-{5-[(3-phenylprop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-(propylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-{5-[(3-phenylprop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-(propylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0562 |
| Compound Name: | 5-chloro-N-{5-[(3-phenylprop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-(propylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 464.03 |
| Molecular Formula: | C19 H18 Cl N5 O S3 |
| Smiles: | CCCSc1ncc(c(C(Nc2nnc(SC/C=C/c3ccccc3)s2)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.301 |
| logD: | 5.8562 |
| logSw: | -6.1363 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.549 |
| InChI Key: | QZWBHHVNYSAISG-UHFFFAOYSA-N |