N-(3,4-dimethoxyphenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]butanamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]butanamide
N-(3,4-dimethoxyphenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]butanamide
Compound characteristics
| Compound ID: | D585-0582 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]butanamide |
| Molecular Weight: | 389.43 |
| Molecular Formula: | C17 H19 N5 O4 S |
| Smiles: | CCC(C(Nc1ccc(c(c1)OC)OC)=O)Sc1nc(c2c(n1)[nH]cn2)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7135 |
| logD: | 1.1741 |
| logSw: | -2.4351 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.47 |
| InChI Key: | BMPNIQFWTVKDEY-LBPRGKRZSA-N |