5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F736-0443 |
| Compound Name: | 5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 410.94 |
| Molecular Formula: | C17 H19 Cl N4 O2 S2 |
| Smiles: | C1CCCN(CC1)C(CSc1nnc(C(Nc2ccc(cc2)[Cl])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8266 |
| logD: | 3.8258 |
| logSw: | -4.4439 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.647 |
| InChI Key: | LECYUVONRGYFFG-UHFFFAOYSA-N |