N-(2-methoxyethyl)-N-{2-[5-(3-nitrophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-propylurea
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'-propylurea
N-(2-methoxyethyl)-N-{2-[5-(3-nitrophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-propylurea
Compound characteristics
Compound ID: | V005-7823 |
Compound Name: | N-(2-methoxyethyl)-N-{2-[5-(3-nitrophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-propylurea |
Molecular Weight: | 473.55 |
Molecular Formula: | C22 H27 N5 O5 S |
Smiles: | CCCNC(N(CCOC)CC(N1C(CC(c2cccs2)=N1)c1cccc(c1)[N+]([O-])=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.5539 |
logD: | 3.5539 |
logSw: | -3.6547 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 96.047 |
InChI Key: | OLQZNVNPRPQAIT-LJQANCHMSA-N |