N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-butyl-N-[(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-[(2-fluorophenyl)carbamoyl]glycinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-butyl-N-[(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-[(2-fluorophenyl)carbamoyl]glycinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-butyl-N-[(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-[(2-fluorophenyl)carbamoyl]glycinamide
Compound characteristics
| Compound ID: | V012-6391 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-butyl-N-[(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-[(2-fluorophenyl)carbamoyl]glycinamide |
| Molecular Weight: | 594.04 |
| Molecular Formula: | C31 H29 Cl F N3 O6 |
| Smiles: | CCCCN(CC(N(CC1=COc2ccc(cc2C1=O)[Cl])Cc1ccc2c(c1)OCO2)=O)C(Nc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6075 |
| logD: | 5.6075 |
| logSw: | -5.7534 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.243 |
| InChI Key: | IEQXMDVDFSZBIP-UHFFFAOYSA-N |