ethyl 2-({5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl}carbamamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-({5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl}carbamamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-({5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl}carbamamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | E002-1516 |
| Compound Name: | ethyl 2-({5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl}carbamamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 471.6 |
| Molecular Formula: | C22 H25 N5 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(Nc1nnc(N(C)Cc2ccccc2)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4782 |
| logD: | 4.3586 |
| logSw: | -5.3534 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.325 |
| InChI Key: | GIBXFERXPPWQBH-UHFFFAOYSA-N |