methyl 2-amino-4-[4-(methoxycarbonyl)phenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
methyl 2-amino-4-[4-(methoxycarbonyl)phenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
methyl 2-amino-4-[4-(methoxycarbonyl)phenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 5948-0552 |
| Compound Name: | methyl 2-amino-4-[4-(methoxycarbonyl)phenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 385.42 |
| Molecular Formula: | C21 H23 N O6 |
| Smiles: | CC1(C)CC2=C(C(C(=C(N)O2)C(=O)OC)c2ccc(cc2)C(=O)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5414 |
| logD: | 2.5414 |
| logSw: | -2.6606 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.894 |
| InChI Key: | ZVZYCHCIHWJSHI-OAHLLOKOSA-N |