N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(4-ethoxyphenyl)-N~2~-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl)glycinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(4-ethoxyphenyl)-N~2~-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl)glycinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(4-ethoxyphenyl)-N~2~-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl)glycinamide
Compound characteristics
| Compound ID: | C548-0821 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(4-ethoxyphenyl)-N~2~-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl)glycinamide |
| Molecular Weight: | 516.53 |
| Molecular Formula: | C23 H24 N4 O8 S |
| Smiles: | CCOc1ccc(cc1)N(CC(NCc1ccc2c(c1)OCO2)=O)S(C1=C(C)NC(NC1=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3998 |
| logD: | -1.0695 |
| logSw: | -2.6795 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 129.037 |
| InChI Key: | AUSUMPNSYPEVDH-UHFFFAOYSA-N |