N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl}-3-methylbutanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl}-3-methylbutanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl}-3-methylbutanamide
Compound characteristics
| Compound ID: | V018-7735 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl}-3-methylbutanamide |
| Molecular Weight: | 452.51 |
| Molecular Formula: | C25 H28 N2 O6 |
| Smiles: | CC(C)CC(N(Cc1ccc2c(c1)OCO2)Cc1cc(c2ccc(cc2OC)OC)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5552 |
| logD: | 4.5552 |
| logSw: | -4.4187 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.242 |
| InChI Key: | QUTWMMBHTIJFOS-UHFFFAOYSA-N |