ethyl 2-amino-4-(4-bromo-3-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
ethyl 2-amino-4-(4-bromo-3-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
ethyl 2-amino-4-(4-bromo-3-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | Y500-0467 |
| Compound Name: | ethyl 2-amino-4-(4-bromo-3-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 438.29 |
| Molecular Formula: | C20 H21 Br F N O4 |
| Smiles: | CCOC(C1C(C2=C(CC(C)(C)CC2=O)OC=1N)c1ccc(c(c1)F)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8262 |
| logD: | 3.8262 |
| logSw: | -4.1792 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.3 |
| InChI Key: | IURVFGUBAOPXJT-OAHLLOKOSA-N |