N-(2-methoxyethyl)-N-{2-[5-(3-nitrophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-[4-(trifluoromethyl)phenyl]urea
Chemical Structure Depiction of
N-(2-methoxyethyl)-N-{2-[5-(3-nitrophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-[4-(trifluoromethyl)phenyl]urea
N-(2-methoxyethyl)-N-{2-[5-(3-nitrophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-[4-(trifluoromethyl)phenyl]urea
Compound characteristics
| Compound ID: | V005-7811 |
| Compound Name: | N-(2-methoxyethyl)-N-{2-[5-(3-nitrophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-[4-(trifluoromethyl)phenyl]urea |
| Molecular Weight: | 575.57 |
| Molecular Formula: | C26 H24 F3 N5 O5 S |
| Smiles: | COCCN(CC(N1C(CC(c2cccs2)=N1)c1cccc(c1)[N+]([O-])=O)=O)C(Nc1ccc(cc1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0903 |
| logD: | 5.0903 |
| logSw: | -4.9915 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.611 |
| InChI Key: | WHBRWOFULZCWQL-JOCHJYFZSA-N |