ethyl 4-[butyl(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)carbamamido]benzoate
Chemical Structure Depiction of
ethyl 4-[butyl(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)carbamamido]benzoate
ethyl 4-[butyl(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)carbamamido]benzoate
Compound characteristics
| Compound ID: | V008-2993 |
| Compound Name: | ethyl 4-[butyl(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)carbamamido]benzoate |
| Molecular Weight: | 587.65 |
| Molecular Formula: | C33 H34 F N3 O6 |
| Smiles: | CCCCN(CC(N(CC1=COc2ccccc2C1=O)Cc1ccc(cc1)F)=O)C(Nc1ccc(cc1)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5081 |
| logD: | 5.5081 |
| logSw: | -5.3846 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.579 |
| InChI Key: | AUPIAVSLNVFJNE-UHFFFAOYSA-N |