N'-tert-butyl-N-{2-[3-(4-fluorophenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylurea
Chemical Structure Depiction of
N'-tert-butyl-N-{2-[3-(4-fluorophenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylurea
N'-tert-butyl-N-{2-[3-(4-fluorophenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylurea
Compound characteristics
| Compound ID: | V025-2068 |
| Compound Name: | N'-tert-butyl-N-{2-[3-(4-fluorophenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylurea |
| Molecular Weight: | 455.49 |
| Molecular Formula: | C23 H26 F N5 O4 |
| Smiles: | CC(C)(C)NC(N(C)CC(N1C(CC(c2ccc(cc2)F)=N1)c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0274 |
| logD: | 4.0274 |
| logSw: | -4.1692 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.629 |
| InChI Key: | VCXGJSXWGITDAP-HXUWFJFHSA-N |