2-[3-oxo-8-(phenylsulfanyl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-[4-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-[3-oxo-8-(phenylsulfanyl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-[4-(propan-2-yl)phenyl]acetamide
2-[3-oxo-8-(phenylsulfanyl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | M451-0233 |
| Compound Name: | 2-[3-oxo-8-(phenylsulfanyl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C22 H21 N5 O2 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CN1C(N2C=CN=C(C2=N1)Sc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9384 |
| logD: | 3.9384 |
| logSw: | -3.9457 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.586 |
| InChI Key: | PMNWOEBKGURAFY-UHFFFAOYSA-N |