5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E919-0468 |
| Compound Name: | 5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 444.88 |
| Molecular Formula: | C20 H21 Cl N6 O4 |
| Smiles: | COc1ccc(cc1OC)NC(Cn1c(c(C(NCc2ccc(cc2)[Cl])=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4096 |
| logD: | 1.4096 |
| logSw: | -2.6748 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 109.02 |
| InChI Key: | MQKZMTCQKVAJHI-UHFFFAOYSA-N |