N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-[(4-ethoxyphenyl)carbamoyl]-N~2~-(3-methylbutyl)glycinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-[(4-ethoxyphenyl)carbamoyl]-N~2~-(3-methylbutyl)glycinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-[(4-ethoxyphenyl)carbamoyl]-N~2~-(3-methylbutyl)glycinamide
Compound characteristics
| Compound ID: | V001-5541 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-[(4-ethoxyphenyl)carbamoyl]-N~2~-(3-methylbutyl)glycinamide |
| Molecular Weight: | 634.13 |
| Molecular Formula: | C34 H36 Cl N3 O7 |
| Smiles: | CCOc1ccc(cc1)NC(N(CCC(C)C)CC(N(CC1=COc2ccc(cc2C1=O)[Cl])Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1043 |
| logD: | 6.1043 |
| logSw: | -6.0669 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.065 |
| InChI Key: | NPCJOUXHRLIJDU-UHFFFAOYSA-N |