N'-tert-butyl-N-{2-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylurea
Chemical Structure Depiction of
N'-tert-butyl-N-{2-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylurea
N'-tert-butyl-N-{2-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylurea
Compound characteristics
| Compound ID: | V027-4163 |
| Compound Name: | N'-tert-butyl-N-{2-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylurea |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C23 H30 N4 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)NC(N(C)CC(N1C(CC(c2cccs2)=N1)c1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6255 |
| logD: | 3.6255 |
| logSw: | -3.8919 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.527 |
| InChI Key: | CGCMZNRMNSQWQJ-QGZVFWFLSA-N |