N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-butyl-N~2~-(tert-butylcarbamoyl)-N-[(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]glycinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-butyl-N~2~-(tert-butylcarbamoyl)-N-[(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]glycinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-butyl-N~2~-(tert-butylcarbamoyl)-N-[(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]glycinamide
Compound characteristics
| Compound ID: | V030-7701 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-butyl-N~2~-(tert-butylcarbamoyl)-N-[(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]glycinamide |
| Molecular Weight: | 556.06 |
| Molecular Formula: | C29 H34 Cl N3 O6 |
| Smiles: | CCCCN(CC(N(CC1=COc2ccc(cc2C1=O)[Cl])Cc1ccc2c(c1)OCO2)=O)C(NC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0976 |
| logD: | 5.0976 |
| logSw: | -5.1046 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.358 |
| InChI Key: | YQIGHSQPPPNJRJ-UHFFFAOYSA-N |