ethyl 2-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D139-0282 |
| Compound Name: | ethyl 2-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 429.6 |
| Molecular Formula: | C16 H19 N3 O3 S4 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1nc(ns1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5191 |
| logD: | 2.4679 |
| logSw: | -4.3049 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.486 |
| InChI Key: | JFGWEDRRULQFSC-UHFFFAOYSA-N |