1-(2,3-dihydro-1H-indol-1-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(2,3-dihydro-1H-indol-1-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one
1-(2,3-dihydro-1H-indol-1-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | D585-0135 |
| Compound Name: | 1-(2,3-dihydro-1H-indol-1-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 327.36 |
| Molecular Formula: | C15 H13 N5 O2 S |
| Smiles: | C1CN(C(CSc2nc(c3c(n2)[nH]cn3)O)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 1.2197 |
| logD: | 0.6803 |
| logSw: | -2.0198 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.27 |
| InChI Key: | IGFHYUNVZXHLEY-UHFFFAOYSA-N |