N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)-N'-[4-(trifluoromethyl)phenyl]urea
Chemical Structure Depiction of
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)-N'-[4-(trifluoromethyl)phenyl]urea
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)-N'-[4-(trifluoromethyl)phenyl]urea
Compound characteristics
| Compound ID: | V027-6335 |
| Compound Name: | N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)-N'-[4-(trifluoromethyl)phenyl]urea |
| Molecular Weight: | 571.56 |
| Molecular Formula: | C28 H28 F3 N5 O5 |
| Salt: | not_available |
| Smiles: | Cn1cccc1C1CC(c2ccc3c(c2)OCO3)N(C(CN(CCOC)C(Nc2ccc(cc2)C(F)(F)F)=O)=O)N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0802 |
| logD: | 5.0792 |
| logSw: | -4.9988 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.744 |
| InChI Key: | ZQDSABWDCOSKFA-QHCPKHFHSA-N |