3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(2,5-dimethylphenyl)propanamide
Chemical Structure Depiction of
3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(2,5-dimethylphenyl)propanamide
3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(2,5-dimethylphenyl)propanamide
Compound characteristics
| Compound ID: | M107-0391 |
| Compound Name: | 3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(2,5-dimethylphenyl)propanamide |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C26 H29 N5 O3 S |
| Smiles: | Cc1ccc(C)c(c1)NC(CCSc1nc2C(N(C)C(N(C)c2n1CCc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1514 |
| logD: | 4.1514 |
| logSw: | -4.1645 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.388 |
| InChI Key: | JRILYELBHFMZOL-UHFFFAOYSA-N |