ethyl 2-amino-4-(2-chloro-5-nitrophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
ethyl 2-amino-4-(2-chloro-5-nitrophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
ethyl 2-amino-4-(2-chloro-5-nitrophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 3718-0035 |
| Compound Name: | ethyl 2-amino-4-(2-chloro-5-nitrophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 468.89 |
| Molecular Formula: | C24 H21 Cl N2 O6 |
| Smiles: | CCOC(C1C(C2=C(CC(CC2=O)c2ccccc2)OC=1N)c1cc(ccc1[Cl])[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8978 |
| logD: | 4.8978 |
| logSw: | -5.1007 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.41 |
| InChI Key: | RLNCVNLLZZARAJ-UHFFFAOYSA-N |