N-(4-chlorophenyl)-2-[3-oxo-8-(phenylsulfanyl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-[3-oxo-8-(phenylsulfanyl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
N-(4-chlorophenyl)-2-[3-oxo-8-(phenylsulfanyl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | M451-0292 |
| Compound Name: | N-(4-chlorophenyl)-2-[3-oxo-8-(phenylsulfanyl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide |
| Molecular Weight: | 411.87 |
| Molecular Formula: | C19 H14 Cl N5 O2 S |
| Smiles: | C(C(Nc1ccc(cc1)[Cl])=O)N1C(N2C=CN=C(C2=N1)Sc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1949 |
| logD: | 3.1949 |
| logSw: | -3.6238 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.586 |
| InChI Key: | KZBGLVAYAUTMBD-UHFFFAOYSA-N |