methyl 6-amino-5-cyano-2-methyl-4-(4-nitrothiophen-2-yl)-4H-pyran-3-carboxylate
Chemical Structure Depiction of
methyl 6-amino-5-cyano-2-methyl-4-(4-nitrothiophen-2-yl)-4H-pyran-3-carboxylate
methyl 6-amino-5-cyano-2-methyl-4-(4-nitrothiophen-2-yl)-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8001-8070 |
| Compound Name: | methyl 6-amino-5-cyano-2-methyl-4-(4-nitrothiophen-2-yl)-4H-pyran-3-carboxylate |
| Molecular Weight: | 321.31 |
| Molecular Formula: | C13 H11 N3 O5 S |
| Smiles: | CC1=C(C(C(C#N)=C(N)O1)c1cc(cs1)[N+]([O-])=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4679 |
| logD: | 1.4679 |
| logSw: | -1.9919 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.266 |
| InChI Key: | BVLSFKDBEYDSEU-NSHDSACASA-N |