1-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}[1]benzopyrano[4,3-c]pyrazol-4(1H)-one
Chemical Structure Depiction of
1-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}[1]benzopyrano[4,3-c]pyrazol-4(1H)-one
1-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}[1]benzopyrano[4,3-c]pyrazol-4(1H)-one
Compound characteristics
| Compound ID: | C434-0046 |
| Compound Name: | 1-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}[1]benzopyrano[4,3-c]pyrazol-4(1H)-one |
| Molecular Weight: | 433.42 |
| Molecular Formula: | C22 H19 N5 O5 |
| Smiles: | C1CN(CCN1C(Cn1c2c3ccccc3OC(c2cn1)=O)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4397 |
| logD: | 2.4397 |
| logSw: | -2.8783 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.493 |
| InChI Key: | USFVYEQBFYFEOX-UHFFFAOYSA-N |