4-{[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetyl}-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
4-{[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetyl}-3,4-dihydroquinoxalin-2(1H)-one
4-{[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetyl}-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | D585-0146 |
| Compound Name: | 4-{[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetyl}-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 356.36 |
| Molecular Formula: | C15 H12 N6 O3 S |
| Smiles: | C1C(Nc2ccccc2N1C(CSc1nc(c2c(n1)[nH]cn2)O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.228 |
| logD: | -0.3114 |
| logSw: | -2.211 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.738 |
| InChI Key: | YRLFJVVECUGCEQ-UHFFFAOYSA-N |