N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-(2,4-dimethylphenyl)-3-(4-nitrophenyl)-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-(2,4-dimethylphenyl)-3-(4-nitrophenyl)-1H-pyrazole-5-carboxamide
N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-(2,4-dimethylphenyl)-3-(4-nitrophenyl)-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | V028-2012 |
| Compound Name: | N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-(2,4-dimethylphenyl)-3-(4-nitrophenyl)-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 624.83 |
| Molecular Formula: | C38 H48 N4 O4 |
| Salt: | not_available |
| Smiles: | CCC(C)(C)c1ccc(c(c1)C(C)(C)CC)OCCCCNC(c1cc(c2ccc(cc2)[N+]([O-])=O)nn1c1ccc(C)cc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 10.5215 |
| logD: | 10.5215 |
| logSw: | -5.5914 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.901 |
| InChI Key: | VFAUOBBYOHINPB-UHFFFAOYSA-N |