11-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile
Chemical Structure Depiction of
11-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile
11-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile
Compound characteristics
| Compound ID: | 8015-4851 |
| Compound Name: | 11-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile |
| Molecular Weight: | 360.44 |
| Molecular Formula: | C19 H16 N6 S |
| Smiles: | Cn1cnnc1SC1=C2CCCCC2=C(C#N)c2nc3ccccc3n12 |
| Stereo: | ACHIRAL |
| logP: | 3.528 |
| logD: | 3.528 |
| logSw: | -3.7399 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.809 |
| InChI Key: | OVVHEOSJBURQFM-UHFFFAOYSA-N |