1-(7-{3-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]propyl}-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
1-(7-{3-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]propyl}-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide
1-(7-{3-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]propyl}-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | D226-0068 |
| Compound Name: | 1-(7-{3-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]propyl}-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide |
| Molecular Weight: | 472.57 |
| Molecular Formula: | C21 H28 N8 O3 S |
| Smiles: | Cc1cc(C)nc(n1)SCCCn1c2C(NC(N(C)c2nc1N1CCC(CC1)C(N)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4288 |
| logD: | 1.4287 |
| logSw: | -2.3512 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.555 |
| InChI Key: | NDRLPJAUKOWRFK-UHFFFAOYSA-N |