1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-8-methyl[1]benzopyrano[4,3-c]pyrazol-4(1H)-one
Chemical Structure Depiction of
1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-8-methyl[1]benzopyrano[4,3-c]pyrazol-4(1H)-one
1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-8-methyl[1]benzopyrano[4,3-c]pyrazol-4(1H)-one
Compound characteristics
| Compound ID: | C618-0850 |
| Compound Name: | 1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-8-methyl[1]benzopyrano[4,3-c]pyrazol-4(1H)-one |
| Molecular Weight: | 373.41 |
| Molecular Formula: | C22 H19 N3 O3 |
| Smiles: | Cc1ccc2c(c1)c1c(cnn1CC(N1CCc3ccccc3C1)=O)C(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.1397 |
| logD: | 3.1397 |
| logSw: | -3.2115 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.513 |
| InChI Key: | YALWURMPBDWFTF-UHFFFAOYSA-N |