N'-(adamantan-1-yl)-N-[(4-ethylphenyl)methyl]-N-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}urea
Chemical Structure Depiction of
N'-(adamantan-1-yl)-N-[(4-ethylphenyl)methyl]-N-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}urea
N'-(adamantan-1-yl)-N-[(4-ethylphenyl)methyl]-N-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}urea
Compound characteristics
| Compound ID: | E002-1658 |
| Compound Name: | N'-(adamantan-1-yl)-N-[(4-ethylphenyl)methyl]-N-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}urea |
| Molecular Weight: | 498.67 |
| Molecular Formula: | C31 H38 N4 O2 |
| Smiles: | CCc1ccc(CN(Cc2c[nH]nc2c2ccc(cc2)OC)C(NC23CC4CC(CC(C4)C3)C2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.655 |
| logD: | 6.655 |
| logSw: | -5.7722 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.75 |
| InChI Key: | JBOBSIXHZLBQDU-UHFFFAOYSA-N |