ethyl 2-amino-4-(4-chloro-3-nitrophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
ethyl 2-amino-4-(4-chloro-3-nitrophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
ethyl 2-amino-4-(4-chloro-3-nitrophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 3718-0047 |
| Compound Name: | ethyl 2-amino-4-(4-chloro-3-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)c1ccc(c(c1)[N+]([O-])=O)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3527 |
| logD: | 4.3527 |
| logSw: | -4.7386 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.109 |
| InChI Key: | NCKKYHWAKQSZLH-UHFFFAOYSA-N |