methyl 2-amino-4-(4-methylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
methyl 2-amino-4-(4-methylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
methyl 2-amino-4-(4-methylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 5983-0895 |
| Compound Name: | methyl 2-amino-4-(4-methylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 313.35 |
| Molecular Formula: | C18 H19 N O4 |
| Smiles: | Cc1ccc(cc1)C1C2=C(CCCC2=O)OC(=C1C(=O)OC)N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.274 |
| logD: | 2.274 |
| logSw: | -2.6606 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.72 |
| InChI Key: | XXTWPKGGGJWCOJ-CQSZACIVSA-N |