methyl 6-amino-4-(3-bromo-4-fluorophenyl)-5-cyano-2-(methoxymethyl)-4H-pyran-3-carboxylate
Chemical Structure Depiction of
methyl 6-amino-4-(3-bromo-4-fluorophenyl)-5-cyano-2-(methoxymethyl)-4H-pyran-3-carboxylate
methyl 6-amino-4-(3-bromo-4-fluorophenyl)-5-cyano-2-(methoxymethyl)-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8007-0157 |
| Compound Name: | methyl 6-amino-4-(3-bromo-4-fluorophenyl)-5-cyano-2-(methoxymethyl)-4H-pyran-3-carboxylate |
| Molecular Weight: | 397.2 |
| Molecular Formula: | C16 H14 Br F N2 O4 |
| Smiles: | COCC1=C(C(C(C#N)=C(N)O1)c1ccc(c(c1)[Br])F)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9775 |
| logD: | 1.9775 |
| logSw: | -2.5427 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.485 |
| InChI Key: | IRRFESUOZZVVCD-CYBMUJFWSA-N |