2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}-N-phenyl-N-(prop-2-en-1-yl)acetamide
Chemical Structure Depiction of
2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}-N-phenyl-N-(prop-2-en-1-yl)acetamide
2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}-N-phenyl-N-(prop-2-en-1-yl)acetamide
Compound characteristics
| Compound ID: | G754-0314 |
| Compound Name: | 2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}-N-phenyl-N-(prop-2-en-1-yl)acetamide |
| Molecular Weight: | 431.52 |
| Molecular Formula: | C23 H21 N5 O2 S |
| Smiles: | Cc1ccc(cc1)n1c2c(C(NC=N2)=O)nc1SCC(N(CC=C)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4699 |
| logD: | 3.4687 |
| logSw: | -3.7548 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.519 |
| InChI Key: | HUCGVLJKTNWNCI-UHFFFAOYSA-N |