ethyl 4-amino-2-({1-[(2H-1,3-benzodioxol-5-yl)amino]-1-oxobutan-2-yl}sulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-({1-[(2H-1,3-benzodioxol-5-yl)amino]-1-oxobutan-2-yl}sulfanyl)pyrimidine-5-carboxylate
ethyl 4-amino-2-({1-[(2H-1,3-benzodioxol-5-yl)amino]-1-oxobutan-2-yl}sulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E726-0327 |
| Compound Name: | ethyl 4-amino-2-({1-[(2H-1,3-benzodioxol-5-yl)amino]-1-oxobutan-2-yl}sulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 404.44 |
| Molecular Formula: | C18 H20 N4 O5 S |
| Smiles: | CCC(C(Nc1ccc2c(c1)OCO2)=O)Sc1ncc(C(=O)OCC)c(N)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0519 |
| logD: | 3.0518 |
| logSw: | -3.3897 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.71 |
| InChI Key: | PIVOTYIKMTZMJS-AWEZNQCLSA-N |