N-(3-chloro-4-fluorophenyl)-2-{8-[cyclohexyl(methyl)amino]-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-[cyclohexyl(methyl)amino]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
N-(3-chloro-4-fluorophenyl)-2-{8-[cyclohexyl(methyl)amino]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | M460-2455 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-{8-[cyclohexyl(methyl)amino]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide |
| Molecular Weight: | 432.88 |
| Molecular Formula: | C20 H22 Cl F N6 O2 |
| Smiles: | CN(C1CCCCC1)C1C2=NN(CC(Nc3ccc(c(c3)[Cl])F)=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0612 |
| logD: | 3.0588 |
| logSw: | -3.4759 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.763 |
| InChI Key: | NJLJSHWIQUAQQR-UHFFFAOYSA-N |