5-amino-1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E919-1616 |
| Compound Name: | 5-amino-1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 444.88 |
| Molecular Formula: | C20 H21 Cl N6 O4 |
| Smiles: | COc1cccc(CNC(c2c(N)n(CC(Nc3ccc(c(c3)[Cl])OC)=O)nn2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.8879 |
| logD: | 1.8877 |
| logSw: | -2.9215 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 108.933 |
| InChI Key: | BTXBNJWJLLHORS-UHFFFAOYSA-N |