N'-tert-butyl-N-[2-(morpholin-4-yl)ethyl]-N-{2-[5-(3-nitrophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}urea
Chemical Structure Depiction of
N'-tert-butyl-N-[2-(morpholin-4-yl)ethyl]-N-{2-[5-(3-nitrophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}urea
N'-tert-butyl-N-[2-(morpholin-4-yl)ethyl]-N-{2-[5-(3-nitrophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}urea
Compound characteristics
| Compound ID: | V006-4766 |
| Compound Name: | N'-tert-butyl-N-[2-(morpholin-4-yl)ethyl]-N-{2-[5-(3-nitrophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}urea |
| Molecular Weight: | 542.66 |
| Molecular Formula: | C26 H34 N6 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)NC(N(CCN1CCOCC1)CC(N1C(CC(c2cccs2)=N1)c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5349 |
| logD: | 2.7842 |
| logSw: | -3.7237 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.306 |
| InChI Key: | JXDIVDOUSHNVRP-JOCHJYFZSA-N |