5-amino-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
Compound ID: | C200-1523 |
Compound Name: | 5-amino-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide |
Molecular Weight: | 398.49 |
Molecular Formula: | C19 H22 N6 O2 S |
Smiles: | Cc1cc(C)c(c(C)c1)NC(Cn1c(c(C(NCc2cccs2)=O)nn1)N)=O |
Stereo: | ACHIRAL |
logP: | 1.7683 |
logD: | 1.7683 |
logSw: | -2.6206 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 4 |
Polar surface area: | 93.382 |
InChI Key: | HLOSOENDGHVMBD-UHFFFAOYSA-N |