11-{[5-benzyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile
Chemical Structure Depiction of
11-{[5-benzyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile
11-{[5-benzyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile
Compound characteristics
| Compound ID: | 8018-7200 |
| Compound Name: | 11-{[5-benzyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile |
| Molecular Weight: | 476.6 |
| Molecular Formula: | C28 H24 N6 S |
| Smiles: | C=CCn1c(Cc2ccccc2)nnc1SC1=C2CCCCC2=C(C#N)c2nc3ccccc3n12 |
| Stereo: | ACHIRAL |
| logP: | 6.0063 |
| logD: | 6.0063 |
| logSw: | -6.042 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.272 |
| InChI Key: | BNRNNXHOVYPBTR-UHFFFAOYSA-N |