2-{[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(2,6-dimethylphenyl)butanamide
Chemical Structure Depiction of
2-{[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(2,6-dimethylphenyl)butanamide
2-{[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(2,6-dimethylphenyl)butanamide
Compound characteristics
| Compound ID: | E682-0023 |
| Compound Name: | 2-{[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(2,6-dimethylphenyl)butanamide |
| Molecular Weight: | 456.58 |
| Molecular Formula: | C22 H24 N4 O3 S2 |
| Smiles: | CCC(C(Nc1c(C)cccc1C)=O)Sc1ncc(c(N)n1)S(c1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8425 |
| logD: | 3.8424 |
| logSw: | -3.9739 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.946 |
| InChI Key: | PPYSRDMRIVZJAT-KRWDZBQOSA-N |