2-({[3-(2H-benzotriazol-2-yl)-4-ethoxyphenyl]methyl}sulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-({[3-(2H-benzotriazol-2-yl)-4-ethoxyphenyl]methyl}sulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-({[3-(2H-benzotriazol-2-yl)-4-ethoxyphenyl]methyl}sulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8016-6413 |
| Compound Name: | 2-({[3-(2H-benzotriazol-2-yl)-4-ethoxyphenyl]methyl}sulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C25 H23 N5 O S |
| Smiles: | CCOc1ccc(CSc2c(C#N)cc3CCCCc3n2)cc1n1nc2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 6.0664 |
| logD: | 6.0664 |
| logSw: | -5.5617 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.135 |
| InChI Key: | QHHVKIMWPPSMSJ-UHFFFAOYSA-N |