1-[2-(azepan-1-yl)-2-oxoethyl]-8-methyl[1]benzopyrano[4,3-c]pyrazol-4(1H)-one
Chemical Structure Depiction of
1-[2-(azepan-1-yl)-2-oxoethyl]-8-methyl[1]benzopyrano[4,3-c]pyrazol-4(1H)-one
1-[2-(azepan-1-yl)-2-oxoethyl]-8-methyl[1]benzopyrano[4,3-c]pyrazol-4(1H)-one
Compound characteristics
Compound ID: | C618-0632 |
Compound Name: | 1-[2-(azepan-1-yl)-2-oxoethyl]-8-methyl[1]benzopyrano[4,3-c]pyrazol-4(1H)-one |
Molecular Weight: | 339.39 |
Molecular Formula: | C19 H21 N3 O3 |
Smiles: | Cc1ccc2c(c1)c1c(cnn1CC(N1CCCCCC1)=O)C(=O)O2 |
Stereo: | ACHIRAL |
logP: | 2.678 |
logD: | 2.678 |
logSw: | -2.9703 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 51.182 |
InChI Key: | KWBSPCAVIMQHQY-UHFFFAOYSA-N |