5-(4-chloroanilino)-7,8,9,10-tetrahydro[1,2,4]triazolo[3,4-a]isoquinoline-6-carbonitrile
Chemical Structure Depiction of
5-(4-chloroanilino)-7,8,9,10-tetrahydro[1,2,4]triazolo[3,4-a]isoquinoline-6-carbonitrile
5-(4-chloroanilino)-7,8,9,10-tetrahydro[1,2,4]triazolo[3,4-a]isoquinoline-6-carbonitrile
Compound characteristics
| Compound ID: | 8019-9639 |
| Compound Name: | 5-(4-chloroanilino)-7,8,9,10-tetrahydro[1,2,4]triazolo[3,4-a]isoquinoline-6-carbonitrile |
| Molecular Weight: | 323.78 |
| Molecular Formula: | C17 H14 Cl N5 |
| Smiles: | C1CCC2=C(C1)C(C#N)=C(Nc1ccc(cc1)[Cl])n1cnnc12 |
| Stereo: | ACHIRAL |
| logP: | 3.6251 |
| logD: | 3.613 |
| logSw: | -3.9882 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.805 |
| InChI Key: | DLPAOWDOXZFZHS-UHFFFAOYSA-N |