5-amino-N-(4-bromophenyl)-1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(4-bromophenyl)-1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(4-bromophenyl)-1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C368-0781 |
| Compound Name: | 5-amino-N-(4-bromophenyl)-1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 503.35 |
| Molecular Formula: | C21 H23 Br N6 O4 |
| Smiles: | COc1ccc(CCNC(Cn2c(c(C(Nc3ccc(cc3)[Br])=O)nn2)N)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.3922 |
| logD: | 1.3919 |
| logSw: | -2.3165 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 108.861 |
| InChI Key: | YREULWOBWGEPBJ-UHFFFAOYSA-N |