1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-8-methyl[1]benzopyrano[4,3-c]pyrazol-4(1H)-one
Chemical Structure Depiction of
1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-8-methyl[1]benzopyrano[4,3-c]pyrazol-4(1H)-one
1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-8-methyl[1]benzopyrano[4,3-c]pyrazol-4(1H)-one
Compound characteristics
| Compound ID: | C618-0680 |
| Compound Name: | 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-8-methyl[1]benzopyrano[4,3-c]pyrazol-4(1H)-one |
| Molecular Weight: | 353.42 |
| Molecular Formula: | C20 H23 N3 O3 |
| Smiles: | CC1CC(C)CN(C1)C(Cn1c2c3cc(C)ccc3OC(c2cn1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0974 |
| logD: | 3.0974 |
| logSw: | -3.1771 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.718 |
| InChI Key: | QSHKBVJICIZIFZ-UHFFFAOYSA-N |