methyl 6-amino-5-cyano-2-(methoxymethyl)-4-(4-nitrophenyl)-4H-pyran-3-carboxylate
Chemical Structure Depiction of
methyl 6-amino-5-cyano-2-(methoxymethyl)-4-(4-nitrophenyl)-4H-pyran-3-carboxylate
methyl 6-amino-5-cyano-2-(methoxymethyl)-4-(4-nitrophenyl)-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8007-0169 |
| Compound Name: | methyl 6-amino-5-cyano-2-(methoxymethyl)-4-(4-nitrophenyl)-4H-pyran-3-carboxylate |
| Molecular Weight: | 345.31 |
| Molecular Formula: | C16 H15 N3 O6 |
| Smiles: | COCC1=C(C(C(C#N)=C(N)O1)c1ccc(cc1)[N+]([O-])=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2704 |
| logD: | 1.2704 |
| logSw: | -2.0224 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.866 |
| InChI Key: | WWZQENGQVOCLCU-CYBMUJFWSA-N |