2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide
Chemical Structure Depiction of
2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide
2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide
Compound characteristics
| Compound ID: | 5417-0714 |
| Compound Name: | 2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C20 H25 N5 O3 S |
| Smiles: | CC(C(Nc1c(C)cc(C)cc1C)=O)Sc1nc2c(C(N(C)C(N2C)=O)=O)n1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2185 |
| logD: | 3.2185 |
| logSw: | -3.2965 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.063 |
| InChI Key: | XIEKSQZXNHRIGY-ZDUSSCGKSA-N |