N-{2-[5-(3-nitrophenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}cyclobutanecarboxamide
Chemical Structure Depiction of
N-{2-[5-(3-nitrophenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}cyclobutanecarboxamide
N-{2-[5-(3-nitrophenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}cyclobutanecarboxamide
Compound characteristics
| Compound ID: | V005-7860 |
| Compound Name: | N-{2-[5-(3-nitrophenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}cyclobutanecarboxamide |
| Molecular Weight: | 451.44 |
| Molecular Formula: | C22 H21 N5 O6 |
| Smiles: | C1CC(C1)C(NCC(N1C(CC(c2ccc(cc2)[N+]([O-])=O)=N1)c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8032 |
| logD: | 2.8032 |
| logSw: | -3.1987 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 118.558 |
| InChI Key: | QGGMNTYVOYTWLW-FQEVSTJZSA-N |