N-[(4-fluorophenyl)methyl]-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]butanamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]butanamide
N-[(4-fluorophenyl)methyl]-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]butanamide
Compound characteristics
| Compound ID: | D585-0589 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]butanamide |
| Molecular Weight: | 361.4 |
| Molecular Formula: | C16 H16 F N5 O2 S |
| Smiles: | CCC(C(NCc1ccc(cc1)F)=O)Sc1nc(c2c(n1)[nH]cn2)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7249 |
| logD: | 1.1855 |
| logSw: | -2.3396 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.532 |
| InChI Key: | WNPVDGFSYVHECK-NSHDSACASA-N |