methyl 2-amino-4-(4-bromophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
methyl 2-amino-4-(4-bromophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
methyl 2-amino-4-(4-bromophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 3718-0021 |
| Compound Name: | methyl 2-amino-4-(4-bromophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 454.32 |
| Molecular Formula: | C23 H20 Br N O4 |
| Smiles: | COC(C1C(C2=C(CC(CC2=O)c2ccccc2)OC=1N)c1ccc(cc1)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4857 |
| logD: | 4.4857 |
| logSw: | -4.6798 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.448 |
| InChI Key: | RBVKHJLCZKSXNC-UHFFFAOYSA-N |