N-(4-bromo-3-methylphenyl)-1,7,7-trimethyl-9-oxo-8,9-dihydro-7H-furo[3,2-f][1]benzopyran-2-carboxamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-1,7,7-trimethyl-9-oxo-8,9-dihydro-7H-furo[3,2-f][1]benzopyran-2-carboxamide
N-(4-bromo-3-methylphenyl)-1,7,7-trimethyl-9-oxo-8,9-dihydro-7H-furo[3,2-f][1]benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | E520-0147 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-1,7,7-trimethyl-9-oxo-8,9-dihydro-7H-furo[3,2-f][1]benzopyran-2-carboxamide |
| Molecular Weight: | 442.31 |
| Molecular Formula: | C22 H20 Br N O4 |
| Smiles: | Cc1cc(ccc1[Br])NC(c1c(C)c2c3C(CC(C)(C)Oc3ccc2o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2744 |
| logD: | 5.2672 |
| logSw: | -5.5652 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.436 |
| InChI Key: | ZJYDFOBMNZEFKC-UHFFFAOYSA-N |