2-([1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-([1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one
2-([1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | C734-0381 |
| Compound Name: | 2-([1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 419.44 |
| Molecular Formula: | C22 H21 N5 O4 |
| Smiles: | C1CN(CCN1C(Cn1c2c(COc3ccccc23)cn1)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3761 |
| logD: | 2.3761 |
| logSw: | -2.738 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.941 |
| InChI Key: | PFUPDFZLJVYGDL-UHFFFAOYSA-N |