4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(2-methoxydibenzo[b,d]furan-3-yl)butanamide
Chemical Structure Depiction of
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(2-methoxydibenzo[b,d]furan-3-yl)butanamide
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(2-methoxydibenzo[b,d]furan-3-yl)butanamide
Compound characteristics
| Compound ID: | 8017-0378 |
| Compound Name: | 4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(2-methoxydibenzo[b,d]furan-3-yl)butanamide |
| Molecular Weight: | 422.44 |
| Molecular Formula: | C22 H22 N4 O5 |
| Smiles: | Cc1c(c(C)n(CCCC(Nc2cc3c(cc2OC)c2ccccc2o3)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1178 |
| logD: | 3.1176 |
| logSw: | -3.5352 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.275 |
| InChI Key: | XRYAKUUEFORYCA-UHFFFAOYSA-N |