N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-tert-butyl-N-methylurea
Chemical Structure Depiction of
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-tert-butyl-N-methylurea
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-tert-butyl-N-methylurea
Compound characteristics
| Compound ID: | V026-6414 |
| Compound Name: | N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-tert-butyl-N-methylurea |
| Molecular Weight: | 442.54 |
| Molecular Formula: | C22 H26 N4 O4 S |
| Smiles: | CC(C)(C)NC(N(C)CC(N1C(CC(c2cccs2)=N1)c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9237 |
| logD: | 3.9237 |
| logSw: | -3.9863 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.381 |
| InChI Key: | FYDLYUAITGNHOR-INIZCTEOSA-N |