N-[(4-chlorophenyl)methyl]-2-[8-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-2-[8-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
N-[(4-chlorophenyl)methyl]-2-[8-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | M451-2946 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-2-[8-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide |
| Molecular Weight: | 431.94 |
| Molecular Formula: | C20 H22 Cl N5 O2 S |
| Smiles: | C1CCC(CC1)SC1C2=NN(CC(NCc3ccc(cc3)[Cl])=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3597 |
| logD: | 3.3597 |
| logSw: | -3.6869 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.101 |
| InChI Key: | HFWVTVXZQNMDCL-UHFFFAOYSA-N |