6-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-1-methyl-4-(3-nitrophenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Chemical Structure Depiction of
6-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-1-methyl-4-(3-nitrophenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
6-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-1-methyl-4-(3-nitrophenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Compound characteristics
| Compound ID: | 8018-2800 |
| Compound Name: | 6-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-1-methyl-4-(3-nitrophenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione |
| Molecular Weight: | 406.42 |
| Molecular Formula: | C17 H18 N4 O6 S |
| Smiles: | CN1C2CN(C3CCS(C3)(=O)=O)C(C=2C(c2cccc(c2)[N+]([O-])=O)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.1609 |
| logD: | -0.615 |
| logSw: | -2.4531 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.708 |
| InChI Key: | IOYSJEXGDAABJA-UHFFFAOYSA-N |