ethyl 4-({5-[(2-ethoxy-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)-4-oxobutanoate
Chemical Structure Depiction of
ethyl 4-({5-[(2-ethoxy-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)-4-oxobutanoate
ethyl 4-({5-[(2-ethoxy-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)-4-oxobutanoate
Compound characteristics
| Compound ID: | V016-6980 |
| Compound Name: | ethyl 4-({5-[(2-ethoxy-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)-4-oxobutanoate |
| Molecular Weight: | 347.41 |
| Molecular Formula: | C12 H17 N3 O5 S2 |
| Salt: | not_available |
| Smiles: | CCOC(CCC(Nc1nnc(SCC(=O)OCC)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7857 |
| logD: | 1.783 |
| logSw: | -2.2756 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.611 |
| InChI Key: | XKGRJOQPDNEIQY-UHFFFAOYSA-N |