methyl 2-amino-4-(3-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
methyl 2-amino-4-(3-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
methyl 2-amino-4-(3-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 8006-2538 |
| Compound Name: | methyl 2-amino-4-(3-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 317.31 |
| Molecular Formula: | C17 H16 F N O4 |
| Smiles: | COC(C1C(C2=C(CCCC2=O)OC=1N)c1cccc(c1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9288 |
| logD: | 1.9288 |
| logSw: | -2.4527 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.72 |
| InChI Key: | HEHCCPXEJSZVSO-CYBMUJFWSA-N |