4-{[(6-hydroxy-9H-purin-2-yl)sulfanyl]methyl}benzoic acid
Chemical Structure Depiction of
4-{[(6-hydroxy-9H-purin-2-yl)sulfanyl]methyl}benzoic acid
4-{[(6-hydroxy-9H-purin-2-yl)sulfanyl]methyl}benzoic acid
Compound characteristics
| Compound ID: | D585-0090 |
| Compound Name: | 4-{[(6-hydroxy-9H-purin-2-yl)sulfanyl]methyl}benzoic acid |
| Molecular Weight: | 302.31 |
| Molecular Formula: | C13 H10 N4 O3 S |
| Smiles: | C(c1ccc(cc1)C(O)=O)Sc1nc(c2c(n1)[nH]cn2)O |
| Stereo: | ACHIRAL |
| logP: | 1.2934 |
| logD: | -1.6781 |
| logSw: | -2.1093 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.255 |
| InChI Key: | DVFPRXBFLPUVGG-UHFFFAOYSA-N |