N-(3-chloro-4-fluorophenyl)-2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
N-(3-chloro-4-fluorophenyl)-2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | M451-2274 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide |
| Molecular Weight: | 447.85 |
| Molecular Formula: | C19 H12 Cl F2 N5 O2 S |
| Smiles: | C(C(Nc1ccc(c(c1)[Cl])F)=O)N1C(N2C=CN=C(C2=N1)Sc1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4342 |
| logD: | 3.4319 |
| logSw: | -3.7541 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.586 |
| InChI Key: | URUNRBHEVKNYGV-UHFFFAOYSA-N |