5-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(4-ethoxyanilino)-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-(4-ethoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(4-ethoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C368-0183 |
| Compound Name: | 5-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(4-ethoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 438.44 |
| Molecular Formula: | C21 H22 N6 O5 |
| Smiles: | CCOc1ccc(cc1)NC(Cn1c(c(C(NCc2ccc3c(c2)OCO3)=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5621 |
| logD: | 1.5621 |
| logSw: | -2.4027 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 117.998 |
| InChI Key: | ODOVYERIUQZOFP-UHFFFAOYSA-N |