N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide
N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V001-1948 |
| Compound Name: | N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 572.59 |
| Molecular Formula: | C32 H29 F N2 O7 |
| Smiles: | C1CC(CN(CC(N(CC2=COc3ccccc3C2=O)Cc2ccc(cc2)F)=O)C(c2ccc3c(c2)OCO3)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1321 |
| logD: | 3.1321 |
| logSw: | -3.4294 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.524 |
| InChI Key: | RJOZWSKDRMQWFD-RUZDIDTESA-N |