5-amino-1-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-N-[(3-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-N-[(3-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-1-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-N-[(3-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C200-1525 |
| Compound Name: | 5-amino-1-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-N-[(3-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 424.41 |
| Molecular Formula: | C20 H20 N6 O5 |
| Smiles: | COc1cccc(CNC(c2c(N)n(CC(Nc3ccc4c(c3)OCO4)=O)nn2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.2104 |
| logD: | 1.2104 |
| logSw: | -2.0828 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 118.418 |
| InChI Key: | SWEFATUQTZFINV-UHFFFAOYSA-N |