ethyl 2-(2-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(2-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8013-7805 |
| Compound Name: | ethyl 2-(2-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 477.99 |
| Molecular Formula: | C20 H20 Cl N5 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1nnnn1c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5818 |
| logD: | 2.5951 |
| logSw: | -4.989 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.507 |
| InChI Key: | BPYRYIVQOQNERV-UHFFFAOYSA-N |