ethyl 5-{[6-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl]methyl}-4,5-dihydro-1,2-oxazole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-{[6-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl]methyl}-4,5-dihydro-1,2-oxazole-3-carboxylate
ethyl 5-{[6-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl]methyl}-4,5-dihydro-1,2-oxazole-3-carboxylate
Compound characteristics
| Compound ID: | 8019-6593 |
| Compound Name: | ethyl 5-{[6-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl]methyl}-4,5-dihydro-1,2-oxazole-3-carboxylate |
| Molecular Weight: | 525.51 |
| Molecular Formula: | C26 H27 N3 O9 |
| Smiles: | CCOC(C1CC(Cc2c(C3C(C#N)=C(N)OC4CCCC(C3=4)=O)c(c3c(c2OC)OCO3)OC)ON=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.518 |
| logD: | 2.518 |
| logSw: | -2.6097 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 135.11 |
| InChI Key: | ZISNCBCDDYKLGW-UHFFFAOYSA-N |