N-butyl-N-(2-{[1-(4-methoxyphenyl)-3-methyl-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-nitrobenzamide
Chemical Structure Depiction of
N-butyl-N-(2-{[1-(4-methoxyphenyl)-3-methyl-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-nitrobenzamide
N-butyl-N-(2-{[1-(4-methoxyphenyl)-3-methyl-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | V024-4282 |
| Compound Name: | N-butyl-N-(2-{[1-(4-methoxyphenyl)-3-methyl-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-nitrobenzamide |
| Molecular Weight: | 541.61 |
| Molecular Formula: | C30 H31 N5 O5 |
| Salt: | not_available |
| Smiles: | CCCCN(CC(Nc1c(c2ccccc2)c(C)nn1c1ccc(cc1)OC)=O)C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.167 |
| logD: | 5.167 |
| logSw: | -5.06 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.321 |
| InChI Key: | FJFWDCIYGKFUSZ-UHFFFAOYSA-N |