3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]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-[(oxolan-2-yl)methyl]propanamide
3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]propanamide
Compound characteristics
| Compound ID: | M107-0399 |
| Compound Name: | 3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]propanamide |
| Molecular Weight: | 471.58 |
| Molecular Formula: | C23 H29 N5 O4 S |
| Smiles: | CN1C(c2c(N(C)C1=O)n(CCc1ccccc1)c(n2)SCCC(NCC1CCCO1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.266 |
| logD: | 2.266 |
| logSw: | -2.6363 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.062 |
| InChI Key: | NAWXAESLCHPJCJ-QGZVFWFLSA-N |