prop-2-en-1-yl 6-amino-5-cyano-2-methyl-4-(3-nitrophenyl)-4H-pyran-3-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 6-amino-5-cyano-2-methyl-4-(3-nitrophenyl)-4H-pyran-3-carboxylate
prop-2-en-1-yl 6-amino-5-cyano-2-methyl-4-(3-nitrophenyl)-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8008-9257 |
| Compound Name: | prop-2-en-1-yl 6-amino-5-cyano-2-methyl-4-(3-nitrophenyl)-4H-pyran-3-carboxylate |
| Molecular Weight: | 341.32 |
| Molecular Formula: | C17 H15 N3 O5 |
| Smiles: | CC1=C(C(C(C#N)=C(N)O1)c1cccc(c1)[N+]([O-])=O)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9886 |
| logD: | 1.9886 |
| logSw: | -2.4684 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.122 |
| InChI Key: | XGHDRNYHMLHKQS-OAHLLOKOSA-N |