N-(4-acetylphenyl)-2-[8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-[8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
N-(4-acetylphenyl)-2-[8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | M451-1763 |
| Compound Name: | N-(4-acetylphenyl)-2-[8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide |
| Molecular Weight: | 467.93 |
| Molecular Formula: | C22 H18 Cl N5 O3 S |
| Smiles: | CC(c1ccc(cc1)NC(CN1C(N2C=CN=C(C2=N1)SCc1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5009 |
| logD: | 2.5008 |
| logSw: | -3.3545 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.413 |
| InChI Key: | BMEDLASMVOGUBO-UHFFFAOYSA-N |