ethyl 4-hydroxy-2-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,5,6,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Chemical Structure Depiction of
ethyl 4-hydroxy-2-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,5,6,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
ethyl 4-hydroxy-2-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,5,6,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Compound characteristics
| Compound ID: | 6540-0116 |
| Compound Name: | ethyl 4-hydroxy-2-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,5,6,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate |
| Molecular Weight: | 446.44 |
| Molecular Formula: | C19 H18 N4 O7 S |
| Smiles: | CCOC(N1CCc2c3C(=NC(c4cc5c(cc4[N+]([O-])=O)OCO5)Nc3sc2C1)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7715 |
| logD: | 2.6865 |
| logSw: | -3.3884 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.519 |
| InChI Key: | XBKJSDHHZMFCDJ-MRXNPFEDSA-N |