ethyl 1-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]butanoyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]butanoyl}piperidine-4-carboxylate
ethyl 1-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]butanoyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | D585-0592 |
| Compound Name: | ethyl 1-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]butanoyl}piperidine-4-carboxylate |
| Molecular Weight: | 393.46 |
| Molecular Formula: | C17 H23 N5 O4 S |
| Smiles: | CCC(C(N1CCC(CC1)C(=O)OCC)=O)Sc1nc(c2c(n1)[nH]cn2)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4384 |
| logD: | 0.8989 |
| logSw: | -2.1449 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.52 |
| InChI Key: | YAJJYDKVPJGRPR-NSHDSACASA-N |