1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8013-2535 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 289.36 |
| Molecular Formula: | C13 H15 N5 O S |
| Smiles: | Cn1c(nnn1)SCC(N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3745 |
| logD: | 1.3745 |
| logSw: | -2.0939 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.365 |
| InChI Key: | QJBLCFSCBCSNNR-UHFFFAOYSA-N |