7-tert-butyl-2-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
Chemical Structure Depiction of
7-tert-butyl-2-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
7-tert-butyl-2-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
Compound characteristics
| Compound ID: | 3032-4771 |
| Compound Name: | 7-tert-butyl-2-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol |
| Molecular Weight: | 429.49 |
| Molecular Formula: | C21 H23 N3 O5 S |
| Smiles: | CC(C)(C)C1CCc2c3C(=NC(c4cc5c(cc4[N+]([O-])=O)OCO5)Nc3sc2C1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9151 |
| logD: | 4.9041 |
| logSw: | -4.6384 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.805 |
| InChI Key: | PCAIBVHXWRZHFH-UHFFFAOYSA-N |