ethyl {7-[(3-chlorophenyl)methyl]-3,8-dioxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetate
Chemical Structure Depiction of
ethyl {7-[(3-chlorophenyl)methyl]-3,8-dioxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetate
ethyl {7-[(3-chlorophenyl)methyl]-3,8-dioxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetate
Compound characteristics
| Compound ID: | S448-0526 |
| Compound Name: | ethyl {7-[(3-chlorophenyl)methyl]-3,8-dioxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetate |
| Molecular Weight: | 364.79 |
| Molecular Formula: | C16 H17 Cl N4 O4 |
| Smiles: | CCOC(CN1C(N2CCN(Cc3cccc(c3)[Cl])C(C2=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8442 |
| logD: | 1.8442 |
| logSw: | -2.5161 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.062 |
| InChI Key: | MOGNMPRUEKTALH-UHFFFAOYSA-N |