2-{[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)butanamide
Chemical Structure Depiction of
2-{[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)butanamide
2-{[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)butanamide
Compound characteristics
| Compound ID: | E682-0020 |
| Compound Name: | 2-{[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)butanamide |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C21 H22 N4 O4 S2 |
| Smiles: | CCC(C(Nc1ccc(cc1)OC)=O)Sc1ncc(c(N)n1)S(c1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4495 |
| logD: | 3.4495 |
| logSw: | -3.772 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.886 |
| InChI Key: | BEAPJUYLTNNOLU-KRWDZBQOSA-N |