N-(2-methoxyethyl)-N-{2-[5-(3-nitrophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-(propan-2-yl)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'-(propan-2-yl)urea
N-(2-methoxyethyl)-N-{2-[5-(3-nitrophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-(propan-2-yl)urea
Compound characteristics
| Compound ID: | V006-5250 |
| Compound Name: | N-(2-methoxyethyl)-N-{2-[5-(3-nitrophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-(propan-2-yl)urea |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C22 H27 N5 O5 S |
| Smiles: | CC(C)NC(N(CCOC)CC(N1C(CC(c2cccs2)=N1)c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.436 |
| logD: | 3.436 |
| logSw: | -3.7484 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.179 |
| InChI Key: | NWFZBJWTLUFPRN-LJQANCHMSA-N |