N-(3-chloro-4-methoxyphenyl)-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-methoxyphenyl)-2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
N-(3-chloro-4-methoxyphenyl)-2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | M451-2298 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide |
| Molecular Weight: | 459.88 |
| Molecular Formula: | C20 H15 Cl F N5 O3 S |
| Smiles: | COc1ccc(cc1[Cl])NC(CN1C(N2C=CN=C(C2=N1)Sc1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2147 |
| logD: | 3.2146 |
| logSw: | -3.4803 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.217 |
| InChI Key: | IPWHZYXVMHEEGG-UHFFFAOYSA-N |