4-[7-(3,5-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(thiophen-2-yl)methyl]butanamide
Chemical Structure Depiction of
4-[7-(3,5-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(thiophen-2-yl)methyl]butanamide
4-[7-(3,5-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(thiophen-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | G423-0263 |
| Compound Name: | 4-[7-(3,5-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(thiophen-2-yl)methyl]butanamide |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C22 H23 N5 O2 S |
| Smiles: | Cc1cc(C)cc(c1)N1C=Cn2c(CCCC(NCc3cccs3)=O)nnc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 1.9583 |
| logD: | 1.9583 |
| logSw: | -2.5094 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.586 |
| InChI Key: | WROKYBDUOVRNHD-UHFFFAOYSA-N |