N-butyl-2-{7-[(3-chlorophenyl)methyl]-3,8-dioxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-butyl-2-{7-[(3-chlorophenyl)methyl]-3,8-dioxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
N-butyl-2-{7-[(3-chlorophenyl)methyl]-3,8-dioxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | S448-0523 |
| Compound Name: | N-butyl-2-{7-[(3-chlorophenyl)methyl]-3,8-dioxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide |
| Molecular Weight: | 391.86 |
| Molecular Formula: | C18 H22 Cl N5 O3 |
| Smiles: | CCCCNC(CN1C(N2CCN(Cc3cccc(c3)[Cl])C(C2=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0725 |
| logD: | 2.0725 |
| logSw: | -3.0669 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.216 |
| InChI Key: | OGYULUYIHXOJAP-UHFFFAOYSA-N |