2-ethyl-N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)hexanamide
Chemical Structure Depiction of
2-ethyl-N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)hexanamide
2-ethyl-N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)hexanamide
Compound characteristics
| Compound ID: | V001-9204 |
| Compound Name: | 2-ethyl-N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)hexanamide |
| Molecular Weight: | 538.66 |
| Molecular Formula: | C31 H39 F N2 O5 |
| Smiles: | CCCCC(CC)C(N(CCCOC)CC(N(CC1=COc2ccccc2C1=O)Cc1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9743 |
| logD: | 4.9743 |
| logSw: | -4.715 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.619 |
| InChI Key: | ZXRIWUVIARQGBF-DEOSSOPVSA-N |