N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | Y040-5846 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 413.5 |
| Molecular Formula: | C20 H23 N5 O3 S |
| Smiles: | COc1ccc(CCNC(c2c3CCCCc3sc2n2cnnn2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.579 |
| logD: | 2.579 |
| logSw: | -3.0766 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.509 |
| InChI Key: | GHFFAYLOVKLIGG-UHFFFAOYSA-N |