5-amino-N-(5-chloro-2-methoxyphenyl)-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(5-chloro-2-methoxyphenyl)-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(5-chloro-2-methoxyphenyl)-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E919-1956 |
| Compound Name: | 5-amino-N-(5-chloro-2-methoxyphenyl)-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 460.88 |
| Molecular Formula: | C20 H21 Cl N6 O5 |
| Smiles: | COc1ccc(cc1NC(c1c(N)n(CC(Nc2ccc(c(c2)OC)OC)=O)nn1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.6747 |
| logD: | 1.6656 |
| logSw: | -2.7394 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 114.63 |
| InChI Key: | KVXIBUMNGLZSAE-UHFFFAOYSA-N |