ethyl 2-amino-4-[4-(benzyloxy)phenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
ethyl 2-amino-4-[4-(benzyloxy)phenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
ethyl 2-amino-4-[4-(benzyloxy)phenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 3132-1737 |
| Compound Name: | ethyl 2-amino-4-[4-(benzyloxy)phenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 447.53 |
| Molecular Formula: | C27 H29 N O5 |
| Smiles: | CCOC(C1C(C2=C(CC(C)(C)CC2=O)OC=1N)c1ccc(cc1)OCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3055 |
| logD: | 4.3055 |
| logSw: | -4.8045 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.527 |
| InChI Key: | GAXMTOSNOUPDAM-JOCHJYFZSA-N |