N'-tert-butyl-N-{2-[5-(2-chlorophenyl)-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-(2-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylurea
N'-tert-butyl-N-{2-[5-(2-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylurea
Compound characteristics
| Compound ID: | V028-0793 |
| Compound Name: | N'-tert-butyl-N-{2-[5-(2-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylurea |
| Molecular Weight: | 432.97 |
| Molecular Formula: | C21 H25 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)NC(N(C)CC(N1C(CC(c2cccs2)=N1)c1ccccc1[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5719 |
| logD: | 4.5719 |
| logSw: | -4.484 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.266 |
| InChI Key: | ISQQKIFXLHCONT-KRWDZBQOSA-N |