5-amino-1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C368-0617 |
| Compound Name: | 5-amino-1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 444.88 |
| Molecular Formula: | C20 H21 Cl N6 O4 |
| Smiles: | COc1ccc(CNC(c2c(N)n(CC(Nc3cc(ccc3OC)[Cl])=O)nn2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.5153 |
| logD: | 1.5123 |
| logSw: | -2.7032 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 108.235 |
| InChI Key: | QPOSCIYGODJDFI-UHFFFAOYSA-N |