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-[2-(morpholin-4-yl)ethyl]urea
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-[2-(morpholin-4-yl)ethyl]urea
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-[2-(morpholin-4-yl)ethyl]urea
Compound characteristics
| Compound ID: | V027-2897 |
| 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-[2-(morpholin-4-yl)ethyl]urea |
| Molecular Weight: | 563.7 |
| Molecular Formula: | C31 H41 N5 O5 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1C)C1CC(c2ccc3c(c2)OCO3)N(C(CN(CCN2CCOCC2)C(NC(C)(C)C)=O)=O)N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7465 |
| logD: | 3.9958 |
| logSw: | -4.4658 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.021 |
| InChI Key: | PEQICDJVSUCCAG-SANMLTNESA-N |