5-amino-1-[2-(4-chloroanilino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[2-(4-chloroanilino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[2-(4-chloroanilino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E919-1615 |
| Compound Name: | 5-amino-1-[2-(4-chloroanilino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 414.85 |
| Molecular Formula: | C19 H19 Cl N6 O3 |
| Smiles: | COc1cccc(CNC(c2c(N)n(CC(Nc3ccc(cc3)[Cl])=O)nn2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.972 |
| logD: | 1.9719 |
| logSw: | -2.9031 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 101.303 |
| InChI Key: | DGEWJNIQUDMGMB-UHFFFAOYSA-N |