1-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-8-methyl[1]benzopyrano[4,3-c]pyrazol-4(1H)-one
Chemical Structure Depiction of
1-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-8-methyl[1]benzopyrano[4,3-c]pyrazol-4(1H)-one
1-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-8-methyl[1]benzopyrano[4,3-c]pyrazol-4(1H)-one
Compound characteristics
| Compound ID: | C618-0683 |
| Compound Name: | 1-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-8-methyl[1]benzopyrano[4,3-c]pyrazol-4(1H)-one |
| Molecular Weight: | 460.49 |
| Molecular Formula: | C25 H24 N4 O5 |
| Smiles: | Cc1ccc2c(c1)c1c(cnn1CC(N1CCN(CC1)Cc1ccc3c(c1)OCO3)=O)C(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 2.3696 |
| logD: | 2.178 |
| logSw: | -2.9158 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.507 |
| InChI Key: | JVYSMHNVMCFDJD-UHFFFAOYSA-N |