N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-tert-butyl-N-methylurea
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-tert-butyl-N-methylurea
Compound characteristics
| Compound ID: | V027-7338 |
| Compound Name: | N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-tert-butyl-N-methylurea |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C26 H32 N4 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1C)C1CC(c2ccc3c(c2)OCO3)N(C(CN(C)C(NC(C)(C)C)=O)=O)N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0469 |
| logD: | 5.0469 |
| logSw: | -4.6709 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.363 |
| InChI Key: | KLERSCPOQFAFQZ-NRFANRHFSA-N |