methyl 2-amino-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
methyl 2-amino-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
methyl 2-amino-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | Y500-1145 |
| Compound Name: | methyl 2-amino-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 441.4 |
| Molecular Formula: | C21 H22 F3 N O6 |
| Smiles: | COC(C1C(C2=C(CCCC2=O)OC=1N)c1ccc(c(COCC(F)(F)F)c1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6046 |
| logD: | 2.6046 |
| logSw: | -3.0333 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.785 |
| InChI Key: | FSYDCLPOYCBQJE-MRXNPFEDSA-N |