methyl 4-{3-(2H-1,3-benzodioxol-5-yl)-2-[(furan-2-carbonyl)amino]prop-2-enamido}benzoate
Chemical Structure Depiction of
methyl 4-{3-(2H-1,3-benzodioxol-5-yl)-2-[(furan-2-carbonyl)amino]prop-2-enamido}benzoate
methyl 4-{3-(2H-1,3-benzodioxol-5-yl)-2-[(furan-2-carbonyl)amino]prop-2-enamido}benzoate
Compound characteristics
| Compound ID: | 3379-2167 |
| Compound Name: | methyl 4-{3-(2H-1,3-benzodioxol-5-yl)-2-[(furan-2-carbonyl)amino]prop-2-enamido}benzoate |
| Molecular Weight: | 434.4 |
| Molecular Formula: | C23 H18 N2 O7 |
| Smiles: | COC(c1ccc(cc1)NC(/C(=C\c1ccc2c(c1)OCO2)NC(c1ccco1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5353 |
| logD: | 3.5065 |
| logSw: | -3.7016 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.122 |
| InChI Key: | QRQSZMRXEBIPBN-UHFFFAOYSA-N |