ethyl 4-[(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)(2-methylpropyl)carbamamido]benzoate
Chemical Structure Depiction of
ethyl 4-[(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)(2-methylpropyl)carbamamido]benzoate
ethyl 4-[(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)(2-methylpropyl)carbamamido]benzoate
Compound characteristics
| Compound ID: | V012-8325 |
| Compound Name: | ethyl 4-[(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)(2-methylpropyl)carbamamido]benzoate |
| Molecular Weight: | 587.65 |
| Molecular Formula: | C33 H34 F N3 O6 |
| Smiles: | CCOC(c1ccc(cc1)NC(N(CC(C)C)CC(N(CC1=COc2ccccc2C1=O)Cc1ccc(cc1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4347 |
| logD: | 5.4347 |
| logSw: | -5.3794 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.601 |
| InChI Key: | AQODHRYNEKTNID-UHFFFAOYSA-N |