5-amino-N-(2-methoxy-5-methylphenyl)-1-[2-(3-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(2-methoxy-5-methylphenyl)-1-[2-(3-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(2-methoxy-5-methylphenyl)-1-[2-(3-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E919-2131 |
| Compound Name: | 5-amino-N-(2-methoxy-5-methylphenyl)-1-[2-(3-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C20 H22 N6 O3 |
| Smiles: | Cc1cccc(c1)NC(Cn1c(c(C(Nc2cc(C)ccc2OC)=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0838 |
| logD: | 2.0837 |
| logSw: | -2.8357 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 99.369 |
| InChI Key: | PQJKMWKNZLYLKQ-UHFFFAOYSA-N |