2-({6-amino-9-[2-(2-methylphenoxy)ethyl]-9H-purin-8-yl}sulfanyl)propanoic acid
Chemical Structure Depiction of
2-({6-amino-9-[2-(2-methylphenoxy)ethyl]-9H-purin-8-yl}sulfanyl)propanoic acid
2-({6-amino-9-[2-(2-methylphenoxy)ethyl]-9H-purin-8-yl}sulfanyl)propanoic acid
Compound characteristics
| Compound ID: | D058-0052 |
| Compound Name: | 2-({6-amino-9-[2-(2-methylphenoxy)ethyl]-9H-purin-8-yl}sulfanyl)propanoic acid |
| Molecular Weight: | 373.43 |
| Molecular Formula: | C17 H19 N5 O3 S |
| Smiles: | CC(C(O)=O)Sc1nc2c(N)ncnc2n1CCOc1ccccc1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5663 |
| logD: | -0.6401 |
| logSw: | -2.5665 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.776 |
| InChI Key: | YINQAJKAHKBVMY-NSHDSACASA-N |