N-(4-bromophenyl)-4-[7-(3,4-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide
Chemical Structure Depiction of
N-(4-bromophenyl)-4-[7-(3,4-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide
N-(4-bromophenyl)-4-[7-(3,4-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide
Compound characteristics
| Compound ID: | G423-0189 |
| Compound Name: | N-(4-bromophenyl)-4-[7-(3,4-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide |
| Molecular Weight: | 480.36 |
| Molecular Formula: | C23 H22 Br N5 O2 |
| Smiles: | Cc1ccc(cc1C)N1C=Cn2c(CCCC(Nc3ccc(cc3)[Br])=O)nnc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.19 |
| logD: | 3.1898 |
| logSw: | -3.3049 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.246 |
| InChI Key: | RUORXJXEWOTSOD-UHFFFAOYSA-N |