6-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-(4-methoxyphenyl)-1-methyl-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)-4-(4-methoxyphenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
6-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-(4-methoxyphenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Compound characteristics
| Compound ID: | 8017-8624 |
| Compound Name: | 6-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-(4-methoxyphenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione |
| Molecular Weight: | 391.44 |
| Molecular Formula: | C18 H21 N3 O5 S |
| Smiles: | CN1C2CN(C3CCS(C3)(=O)=O)C(C=2C(c2ccc(cc2)OC)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.1496 |
| logD: | -0.154 |
| logSw: | -2.2569 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.87 |
| InChI Key: | QNHQBDSQKRSOIN-UHFFFAOYSA-N |