methyl N-(2H-1,3-benzodioxol-5-yl)-N-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl)glycinate
Chemical Structure Depiction of
methyl N-(2H-1,3-benzodioxol-5-yl)-N-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl)glycinate
methyl N-(2H-1,3-benzodioxol-5-yl)-N-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl)glycinate
Compound characteristics
| Compound ID: | K906-1698 |
| Compound Name: | methyl N-(2H-1,3-benzodioxol-5-yl)-N-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl)glycinate |
| Molecular Weight: | 397.36 |
| Molecular Formula: | C15 H15 N3 O8 S |
| Smiles: | CC1=C(C(NC(N1)=O)=O)S(N(CC(=O)OC)c1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0665 |
| logD: | -2.5358 |
| logSw: | -2.5748 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 118.293 |
| InChI Key: | BRPDWUSAQOSUHZ-UHFFFAOYSA-N |