2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-9H-purin-6-ol
Chemical Structure Depiction of
2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-9H-purin-6-ol
2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-9H-purin-6-ol
Compound characteristics
| Compound ID: | D585-0122 |
| Compound Name: | 2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-9H-purin-6-ol |
| Molecular Weight: | 327.19 |
| Molecular Formula: | C12 H8 Cl2 N4 O S |
| Smiles: | C(c1ccc(c(c1)[Cl])[Cl])Sc1nc(c2c(n1)[nH]cn2)O |
| Stereo: | ACHIRAL |
| logP: | 3.0399 |
| logD: | 2.5004 |
| logSw: | -2.9252 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.847 |
| InChI Key: | YEZPSPBPDWJLRF-UHFFFAOYSA-N |