5-chloro-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-(propylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-(propylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-(propylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0535 |
| Compound Name: | 5-chloro-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-(propylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 387.93 |
| Molecular Formula: | C13 H14 Cl N5 O S3 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCCC)[Cl])=O)c1nnc(SCC=C)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.7588 |
| logD: | 4.314 |
| logSw: | -4.7861 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.821 |
| InChI Key: | GSSABYBTSXSPHV-UHFFFAOYSA-N |