ethyl 4-[(5-hexanamido-1,3,4-thiadiazol-2-yl)sulfanyl]butanoate
Chemical Structure Depiction of
ethyl 4-[(5-hexanamido-1,3,4-thiadiazol-2-yl)sulfanyl]butanoate
ethyl 4-[(5-hexanamido-1,3,4-thiadiazol-2-yl)sulfanyl]butanoate
Compound characteristics
| Compound ID: | V002-7819 |
| Compound Name: | ethyl 4-[(5-hexanamido-1,3,4-thiadiazol-2-yl)sulfanyl]butanoate |
| Molecular Weight: | 345.48 |
| Molecular Formula: | C14 H23 N3 O3 S2 |
| Smiles: | CCCCCC(Nc1nnc(SCCCC(=O)OCC)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7133 |
| logD: | 3.7092 |
| logSw: | -3.5452 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.452 |
| InChI Key: | ZKUFQQJIAGECRH-UHFFFAOYSA-N |