N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-(3-methylbutyl)octanamide
Chemical Structure Depiction of
N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-(3-methylbutyl)octanamide
N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-(3-methylbutyl)octanamide
Compound characteristics
| Compound ID: | V001-5584 |
| Compound Name: | N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-(3-methylbutyl)octanamide |
| Molecular Weight: | 536.69 |
| Molecular Formula: | C32 H41 F N2 O4 |
| Smiles: | CCCCCCCC(N(CCC(C)C)CC(N(CC1=COc2ccccc2C1=O)Cc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4766 |
| logD: | 6.4766 |
| logSw: | -5.7156 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.749 |
| InChI Key: | SOXNSNFNKOTOJG-UHFFFAOYSA-N |