N-{3-[(2,3-dihydro-1H-inden-5-yl)oxy]-5-nitrophenyl}-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-{3-[(2,3-dihydro-1H-inden-5-yl)oxy]-5-nitrophenyl}-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
N-{3-[(2,3-dihydro-1H-inden-5-yl)oxy]-5-nitrophenyl}-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0223 |
| Compound Name: | N-{3-[(2,3-dihydro-1H-inden-5-yl)oxy]-5-nitrophenyl}-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 465.46 |
| Molecular Formula: | C23 H23 N5 O6 |
| Smiles: | Cc1cc(nn1CCCC(Nc1cc(cc(c1)Oc1ccc2CCCc2c1)[N+]([O-])=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8123 |
| logD: | 3.8087 |
| logSw: | -3.8456 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.556 |
| InChI Key: | ZWAPOABLNMOQLK-UHFFFAOYSA-N |