2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]butanamide
Chemical Structure Depiction of
2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]butanamide
2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]butanamide
Compound characteristics
| Compound ID: | G802-1144 |
| Compound Name: | 2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]butanamide |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C26 H29 N5 O3 S |
| Smiles: | CCC(C(Nc1ccc(cc1)C(C)C)=O)Sc1nnc2C(N(C=Cn12)c1ccc(cc1)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3921 |
| logD: | 4.3921 |
| logSw: | -4.1028 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.189 |
| InChI Key: | IVHLYELBJVMFQJ-QFIPXVFZSA-N |