1-{3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[1-(3-methylbutyl)-1H-tetrazol-5-yl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[1-(3-methylbutyl)-1H-tetrazol-5-yl]piperidin-1-yl}ethan-1-one
1-{3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[1-(3-methylbutyl)-1H-tetrazol-5-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | SA20-0831 |
| Compound Name: | 1-{3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[1-(3-methylbutyl)-1H-tetrazol-5-yl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 396.53 |
| Molecular Formula: | C22 H32 N6 O |
| Smiles: | CC(C)CCn1c(C2(CCCN(C2)C(C)=O)N2CCc3ccccc3C2)nnn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1645 |
| logD: | 3.1642 |
| logSw: | -3.0882 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.48 |
| InChI Key: | AJPXKVTWEAWUOH-QFIPXVFZSA-N |