ethyl 2-amino-4-[4-(butanoyloxy)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-(butanoyloxy)phenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
ethyl 2-amino-4-[4-(butanoyloxy)phenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 3448-5791 |
| Compound Name: | ethyl 2-amino-4-[4-(butanoyloxy)phenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C24 H29 N O6 |
| Smiles: | CCCC(=O)Oc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)OC(=C1C(=O)OCC)N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5737 |
| logD: | 3.5737 |
| logSw: | -3.6219 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.354 |
| InChI Key: | NULRTEVYPDADEZ-LJQANCHMSA-N |