2-({[3-(2H-benzotriazol-2-yl)-4-ethoxyphenyl]methyl}sulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-({[3-(2H-benzotriazol-2-yl)-4-ethoxyphenyl]methyl}sulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
2-({[3-(2H-benzotriazol-2-yl)-4-ethoxyphenyl]methyl}sulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8016-6414 |
| Compound Name: | 2-({[3-(2H-benzotriazol-2-yl)-4-ethoxyphenyl]methyl}sulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 455.58 |
| Molecular Formula: | C26 H25 N5 O S |
| Smiles: | CCOc1ccc(CSc2c(C#N)cc3CCCCCc3n2)cc1n1nc2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 6.5623 |
| logD: | 6.5623 |
| logSw: | -5.7328 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.466 |
| InChI Key: | ZSHYZDKLQCGWOG-UHFFFAOYSA-N |