ethyl 2-{4-[5-(methylsulfanyl)-1H-tetrazol-1-yl]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{4-[5-(methylsulfanyl)-1H-tetrazol-1-yl]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{4-[5-(methylsulfanyl)-1H-tetrazol-1-yl]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | L150-0242 |
| Compound Name: | ethyl 2-{4-[5-(methylsulfanyl)-1H-tetrazol-1-yl]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 443.55 |
| Molecular Formula: | C20 H21 N5 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1ccc(cc1)n1c(nnn1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.963 |
| logD: | 0.1283 |
| logSw: | -4.2571 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.72 |
| InChI Key: | VTULZQUGHCZXKA-UHFFFAOYSA-N |