methyl 5-amino-6-cyano-2-methyl-7-(3-nitrophenyl)-7H-thieno[3,2-b]pyran-3-carboxylate
Chemical Structure Depiction of
methyl 5-amino-6-cyano-2-methyl-7-(3-nitrophenyl)-7H-thieno[3,2-b]pyran-3-carboxylate
methyl 5-amino-6-cyano-2-methyl-7-(3-nitrophenyl)-7H-thieno[3,2-b]pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8016-3779 |
| Compound Name: | methyl 5-amino-6-cyano-2-methyl-7-(3-nitrophenyl)-7H-thieno[3,2-b]pyran-3-carboxylate |
| Molecular Weight: | 371.37 |
| Molecular Formula: | C17 H13 N3 O5 S |
| Smiles: | Cc1c(C(=O)OC)c2c(C(C(C#N)=C(N)O2)c2cccc(c2)[N+]([O-])=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8274 |
| logD: | 2.8274 |
| logSw: | -3.4625 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.552 |
| InChI Key: | CZLHEORUNBZBAO-ZDUSSCGKSA-N |