5-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(3,5-dimethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(3,5-dimethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(3,5-dimethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C368-0730 |
| Compound Name: | 5-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(3,5-dimethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 422.44 |
| Molecular Formula: | C21 H22 N6 O4 |
| Smiles: | Cc1cc(C)cc(c1)NC(Cn1c(c(C(NCc2ccc3c(c2)OCO3)=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8861 |
| logD: | 1.8861 |
| logSw: | -2.6807 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 110.874 |
| InChI Key: | LBLDMCQURLKTFS-UHFFFAOYSA-N |