4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-{3-nitro-5-[(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)oxy]phenyl}butanamide
Chemical Structure Depiction of
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-{3-nitro-5-[(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)oxy]phenyl}butanamide
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-{3-nitro-5-[(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)oxy]phenyl}butanamide
Compound characteristics
| Compound ID: | C163-0335 |
| Compound Name: | 4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-{3-nitro-5-[(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)oxy]phenyl}butanamide |
| Molecular Weight: | 533.54 |
| Molecular Formula: | C27 H27 N5 O7 |
| Smiles: | Cc1c(c(C)n(CCCC(Nc2cc(cc(c2)Oc2ccc3c(c2)c2CCCCc2o3)[N+]([O-])=O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5603 |
| logD: | 4.5567 |
| logSw: | -4.3924 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 118.672 |
| InChI Key: | YHTJUOTZFPVHCZ-UHFFFAOYSA-N |