N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-tert-butyl-N-{[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl}urea
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-tert-butyl-N-{[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl}urea
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-tert-butyl-N-{[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl}urea
Compound characteristics
| Compound ID: | V003-2719 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-tert-butyl-N-{[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl}urea |
| Molecular Weight: | 467.52 |
| Molecular Formula: | C25 H29 N3 O6 |
| Smiles: | CC(C)(C)NC(N(Cc1ccc2c(c1)OCO2)Cc1cc(c2ccc(cc2OC)OC)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.627 |
| logD: | 4.627 |
| logSw: | -4.4493 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.736 |
| InChI Key: | YFIWEYMWOKEGEJ-UHFFFAOYSA-N |