N-[(4-chlorophenyl)methyl]-2-[3-oxo-8-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-2-[3-oxo-8-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
N-[(4-chlorophenyl)methyl]-2-[3-oxo-8-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | M460-3744 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-2-[3-oxo-8-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide |
| Molecular Weight: | 418.9 |
| Molecular Formula: | C18 H19 Cl N6 O2 S |
| Smiles: | C(c1ccc(cc1)[Cl])NC(CN1C(N2C=CN=C(C2=N1)N1CCSCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2516 |
| logD: | 1.2516 |
| logSw: | -2.7153 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.531 |
| InChI Key: | CQHPBRPYXATNFY-UHFFFAOYSA-N |