methyl 2-amino-7,7-dimethyl-4-(3-methylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
methyl 2-amino-7,7-dimethyl-4-(3-methylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
methyl 2-amino-7,7-dimethyl-4-(3-methylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 3565-1207 |
| Compound Name: | methyl 2-amino-7,7-dimethyl-4-(3-methylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 341.41 |
| Molecular Formula: | C20 H23 N O4 |
| Smiles: | Cc1cccc(c1)C1C2=C(CC(C)(C)CC2=O)OC(=C1C(=O)OC)N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.981 |
| logD: | 2.981 |
| logSw: | -3.199 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.72 |
| InChI Key: | PXBYRRYSEDTGFD-OAHLLOKOSA-N |