1-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-8-methyl[1]benzopyrano[4,3-c]pyrazol-4(1H)-one
Chemical Structure Depiction of
1-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-8-methyl[1]benzopyrano[4,3-c]pyrazol-4(1H)-one
1-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-8-methyl[1]benzopyrano[4,3-c]pyrazol-4(1H)-one
Compound characteristics
| Compound ID: | C618-0769 |
| Compound Name: | 1-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-8-methyl[1]benzopyrano[4,3-c]pyrazol-4(1H)-one |
| Molecular Weight: | 430.51 |
| Molecular Formula: | C25 H26 N4 O3 |
| Smiles: | Cc1ccc2c(c1)c1c(cnn1CC(N1CCN(CC1)c1cccc(C)c1C)=O)C(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.941 |
| logD: | 3.9409 |
| logSw: | -3.8727 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.81 |
| InChI Key: | DOQGRRHHZKKKOS-UHFFFAOYSA-N |