N-(2-{[(4-fluorophenyl)methyl][(5-methylfuran-2-yl)methyl]amino}-2-oxoethyl)-N-(prop-2-en-1-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-{[(4-fluorophenyl)methyl][(5-methylfuran-2-yl)methyl]amino}-2-oxoethyl)-N-(prop-2-en-1-yl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-{[(4-fluorophenyl)methyl][(5-methylfuran-2-yl)methyl]amino}-2-oxoethyl)-N-(prop-2-en-1-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V028-5493 |
| Compound Name: | N-(2-{[(4-fluorophenyl)methyl][(5-methylfuran-2-yl)methyl]amino}-2-oxoethyl)-N-(prop-2-en-1-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 464.49 |
| Molecular Formula: | C26 H25 F N2 O5 |
| Smiles: | Cc1ccc(CN(Cc2ccc(cc2)F)C(CN(CC=C)C(c2ccc3c(c2)OCO3)=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.6786 |
| logD: | 3.6786 |
| logSw: | -3.9326 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.49 |
| InChI Key: | KERPUHRNBCNAMK-UHFFFAOYSA-N |