N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-(3-methylbutyl)decanamide
Chemical Structure Depiction of
N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-(3-methylbutyl)decanamide
N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-(3-methylbutyl)decanamide
Compound characteristics
| Compound ID: | V001-9227 |
| Compound Name: | N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-(3-methylbutyl)decanamide |
| Molecular Weight: | 564.74 |
| Molecular Formula: | C34 H45 F N2 O4 |
| Smiles: | CCCCCCCCCC(N(CCC(C)C)CC(N(CC1=COc2ccccc2C1=O)Cc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.4684 |
| logD: | 7.4684 |
| logSw: | -5.7456 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.749 |
| InChI Key: | UJIWTGISMFSKQQ-UHFFFAOYSA-N |