2-{[7-benzyl-6-(butylamino)-2-chloro-7H-purin-8-yl]amino}ethan-1-ol
Chemical Structure Depiction of
2-{[7-benzyl-6-(butylamino)-2-chloro-7H-purin-8-yl]amino}ethan-1-ol
2-{[7-benzyl-6-(butylamino)-2-chloro-7H-purin-8-yl]amino}ethan-1-ol
Compound characteristics
| Compound ID: | 4122-0055 |
| Compound Name: | 2-{[7-benzyl-6-(butylamino)-2-chloro-7H-purin-8-yl]amino}ethan-1-ol |
| Molecular Weight: | 374.87 |
| Molecular Formula: | C18 H23 Cl N6 O |
| Smiles: | CCCCNc1c2c(nc(n1)[Cl])nc(NCCO)n2Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8645 |
| logD: | 3.8639 |
| logSw: | -4.0584 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.472 |
| InChI Key: | HLTHRCFANXVYES-UHFFFAOYSA-N |