methyl 2-amino-4-(4-iodophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
methyl 2-amino-4-(4-iodophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
methyl 2-amino-4-(4-iodophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 8001-3159 |
| Compound Name: | methyl 2-amino-4-(4-iodophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 453.28 |
| Molecular Formula: | C19 H20 I N O4 |
| Smiles: | CC1(C)CC2=C(C(C(=C(N)O2)C(=O)OC)c2ccc(cc2)I)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6613 |
| logD: | 3.6613 |
| logSw: | -4.1205 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.72 |
| InChI Key: | XZMUPIHSYXJQCI-CQSZACIVSA-N |