methyl 2-amino-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
methyl 2-amino-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
methyl 2-amino-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 5948-0705 |
| Compound Name: | methyl 2-amino-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 355.43 |
| Molecular Formula: | C21 H25 N O4 |
| Smiles: | CCc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)OC(=C1C(=O)OC)N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3813 |
| logD: | 3.3813 |
| logSw: | -3.6295 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.72 |
| InChI Key: | JLNMQHLZOYUOTD-MRXNPFEDSA-N |