ethyl 2-{[5-(2,4-dichlorobenzamido)-1,3,4-thiadiazol-2-yl]sulfanyl}butanoate
Chemical Structure Depiction of
ethyl 2-{[5-(2,4-dichlorobenzamido)-1,3,4-thiadiazol-2-yl]sulfanyl}butanoate
ethyl 2-{[5-(2,4-dichlorobenzamido)-1,3,4-thiadiazol-2-yl]sulfanyl}butanoate
Compound characteristics
| Compound ID: | V028-6873 |
| Compound Name: | ethyl 2-{[5-(2,4-dichlorobenzamido)-1,3,4-thiadiazol-2-yl]sulfanyl}butanoate |
| Molecular Weight: | 420.33 |
| Molecular Formula: | C15 H15 Cl2 N3 O3 S2 |
| Salt: | not_available |
| Smiles: | CCC(C(=O)OCC)Sc1nnc(NC(c2ccc(cc2[Cl])[Cl])=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.445 |
| logD: | 4.4768 |
| logSw: | -5.9845 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.989 |
| InChI Key: | PLJAEPHRGUMJCX-NSHDSACASA-N |