N-(3-chloro-4-fluorophenyl)-2-[3-oxo-8-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-[3-oxo-8-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
N-(3-chloro-4-fluorophenyl)-2-[3-oxo-8-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | M460-2243 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-[3-oxo-8-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide |
| Molecular Weight: | 422.87 |
| Molecular Formula: | C17 H16 Cl F N6 O2 S |
| Smiles: | C1CSCCN1C1C2=NN(CC(Nc3ccc(c(c3)[Cl])F)=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8093 |
| logD: | 1.8069 |
| logSw: | -2.8961 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.209 |
| InChI Key: | WHEDKXBMKVKYGL-UHFFFAOYSA-N |