3-{3-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]phenyl}prop-2-enoic acid
Chemical Structure Depiction of
3-{3-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]phenyl}prop-2-enoic acid
3-{3-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]phenyl}prop-2-enoic acid
Compound characteristics
| Compound ID: | 8011-5007 |
| Compound Name: | 3-{3-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]phenyl}prop-2-enoic acid |
| Molecular Weight: | 327.38 |
| Molecular Formula: | C19 H21 N O4 |
| Smiles: | Cc1c(cc(C(C)(C)C)o1)C(Nc1cccc(\C=C/C(O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2778 |
| logD: | 1.0872 |
| logSw: | -4.3126 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.039 |
| InChI Key: | QVKIOAOYTMVPNK-HJWRWDBZSA-N |