1-(1,3-dimethyl-7-{2-[(4-methylpyrimidin-2-yl)sulfanyl]ethyl}-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
1-(1,3-dimethyl-7-{2-[(4-methylpyrimidin-2-yl)sulfanyl]ethyl}-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide
1-(1,3-dimethyl-7-{2-[(4-methylpyrimidin-2-yl)sulfanyl]ethyl}-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | D226-0065 |
| Compound Name: | 1-(1,3-dimethyl-7-{2-[(4-methylpyrimidin-2-yl)sulfanyl]ethyl}-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C20 H26 N8 O3 S |
| Smiles: | Cc1ccnc(n1)SCCn1c2C(N(C)C(N(C)c2nc1N1CCC(CC1)C(N)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1568 |
| logD: | 1.1561 |
| logSw: | -2.0165 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.267 |
| InChI Key: | OPPSOBZFQQFVTQ-UHFFFAOYSA-N |