N-(3-chlorophenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]butanamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]butanamide
N-(3-chlorophenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]butanamide
Compound characteristics
| Compound ID: | D585-0536 |
| Compound Name: | N-(3-chlorophenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]butanamide |
| Molecular Weight: | 363.82 |
| Molecular Formula: | C15 H14 Cl N5 O2 S |
| Smiles: | CCC(C(Nc1cccc(c1)[Cl])=O)Sc1nc(c2c(n1)[nH]cn2)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9322 |
| logD: | 2.3927 |
| logSw: | -3.3242 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.21 |
| InChI Key: | KRLNDASKPZXHGW-JTQLQIEISA-N |