7-(5-chloro-2-fluorobenzoyl)-2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Chemical Structure Depiction of
7-(5-chloro-2-fluorobenzoyl)-2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
7-(5-chloro-2-fluorobenzoyl)-2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Compound characteristics
| Compound ID: | S854-0166 |
| Compound Name: | 7-(5-chloro-2-fluorobenzoyl)-2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
| Molecular Weight: | 310.71 |
| Molecular Formula: | C13 H12 Cl F N4 O2 |
| Smiles: | CN1C(N2CCN(CC2=N1)C(c1cc(ccc1F)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7471 |
| logD: | 1.7471 |
| logSw: | -2.9234 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.525 |
| InChI Key: | IJLWEZMNYAXYNS-UHFFFAOYSA-N |