N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-ethylphenyl)methyl]-N-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}urea
Chemical Structure Depiction of
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-ethylphenyl)methyl]-N-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}urea
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-ethylphenyl)methyl]-N-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}urea
Compound characteristics
| Compound ID: | E002-1555 |
| Compound Name: | N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-ethylphenyl)methyl]-N-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}urea |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C29 H30 N4 O4 |
| Smiles: | CCc1ccc(CN(Cc2c[nH]nc2c2ccc(cc2)OC)C(Nc2ccc3c(c2)OCCO3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6215 |
| logD: | 4.6215 |
| logSw: | -4.4047 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.556 |
| InChI Key: | OPPSLMOUPXHIEW-UHFFFAOYSA-N |