N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-4-methoxy-N-(prop-2-en-1-yl)benzamide
Chemical Structure Depiction of
N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-4-methoxy-N-(prop-2-en-1-yl)benzamide
N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-4-methoxy-N-(prop-2-en-1-yl)benzamide
Compound characteristics
| Compound ID: | V001-9205 |
| Compound Name: | N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-4-methoxy-N-(prop-2-en-1-yl)benzamide |
| Molecular Weight: | 514.55 |
| Molecular Formula: | C30 H27 F N2 O5 |
| Smiles: | COc1ccc(cc1)C(N(CC=C)CC(N(CC1=COc2ccccc2C1=O)Cc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7288 |
| logD: | 3.7288 |
| logSw: | -4.0555 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.548 |
| InChI Key: | NDQOZGFRFTVKDK-UHFFFAOYSA-N |