4-[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methyl-N-[(thiophen-2-yl)methyl]butanamide
Chemical Structure Depiction of
4-[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methyl-N-[(thiophen-2-yl)methyl]butanamide
4-[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methyl-N-[(thiophen-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | G423-0630 |
| Compound Name: | 4-[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methyl-N-[(thiophen-2-yl)methyl]butanamide |
| Molecular Weight: | 451.55 |
| Molecular Formula: | C23 H25 N5 O3 S |
| Smiles: | CCOc1ccc(cc1)N1C=Cn2c(CC(C)CC(NCc3cccs3)=O)nnc2C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1122 |
| logD: | 2.1122 |
| logSw: | -2.7346 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.71 |
| InChI Key: | HGVIYGCDSDOUGA-MRXNPFEDSA-N |