N-{3-[(2,3-dihydro-1H-inden-5-yl)oxy]-5-nitrophenyl}-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-{3-[(2,3-dihydro-1H-inden-5-yl)oxy]-5-nitrophenyl}-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
N-{3-[(2,3-dihydro-1H-inden-5-yl)oxy]-5-nitrophenyl}-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0336 |
| Compound Name: | N-{3-[(2,3-dihydro-1H-inden-5-yl)oxy]-5-nitrophenyl}-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 479.49 |
| Molecular Formula: | C24 H25 N5 O6 |
| Smiles: | Cc1c(c(C)n(CCCC(Nc2cc(cc(c2)Oc2ccc3CCCc3c2)[N+]([O-])=O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0714 |
| logD: | 4.0678 |
| logSw: | -4.2119 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.843 |
| InChI Key: | FYTHCEORQKLFJP-UHFFFAOYSA-N |