N-(2,5-dimethoxyphenyl)-2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
N-(2,5-dimethoxyphenyl)-2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | M451-2227 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide |
| Molecular Weight: | 455.47 |
| Molecular Formula: | C21 H18 F N5 O4 S |
| Smiles: | COc1ccc(c(c1)NC(CN1C(N2C=CN=C(C2=N1)Sc1cccc(c1)F)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.3875 |
| logD: | 2.3874 |
| logSw: | -3.0251 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.063 |
| InChI Key: | HCCFHZHIYKKQEI-UHFFFAOYSA-N |