methyl 2-amino-4-(3-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
methyl 2-amino-4-(3-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
methyl 2-amino-4-(3-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 5983-0943 |
| Compound Name: | methyl 2-amino-4-(3-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 344.32 |
| Molecular Formula: | C17 H16 N2 O6 |
| Smiles: | COC(C1C(C2=C(CCCC2=O)OC=1N)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7152 |
| logD: | 1.7152 |
| logSw: | -2.1632 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.101 |
| InChI Key: | CASIIJPPNUDTTI-CYBMUJFWSA-N |