ethyl 2-{[5-(4-butylbenzamido)-1,3,4-thiadiazol-2-yl]sulfanyl}butanoate
Chemical Structure Depiction of
ethyl 2-{[5-(4-butylbenzamido)-1,3,4-thiadiazol-2-yl]sulfanyl}butanoate
ethyl 2-{[5-(4-butylbenzamido)-1,3,4-thiadiazol-2-yl]sulfanyl}butanoate
Compound characteristics
| Compound ID: | V012-0928 |
| Compound Name: | ethyl 2-{[5-(4-butylbenzamido)-1,3,4-thiadiazol-2-yl]sulfanyl}butanoate |
| Molecular Weight: | 407.55 |
| Molecular Formula: | C19 H25 N3 O3 S2 |
| Salt: | not_available |
| Smiles: | CCCCc1ccc(cc1)C(Nc1nnc(SC(CC)C(=O)OCC)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2388 |
| logD: | 6.1826 |
| logSw: | -5.3988 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.989 |
| InChI Key: | XOVAQLSNBJLCAL-HNNXBMFYSA-N |