2-({[5-(adamantan-1-yl)-2-hydroxy-3-nitrophenyl]methylidene}amino)-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-({[5-(adamantan-1-yl)-2-hydroxy-3-nitrophenyl]methylidene}amino)-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carbonitrile
2-({[5-(adamantan-1-yl)-2-hydroxy-3-nitrophenyl]methylidene}amino)-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 5975-1438 |
| Compound Name: | 2-({[5-(adamantan-1-yl)-2-hydroxy-3-nitrophenyl]methylidene}amino)-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carbonitrile |
| Molecular Weight: | 488.61 |
| Molecular Formula: | C27 H28 N4 O3 S |
| Smiles: | [H][C@]12CC3(C[C@]([H])(C1)C[C@@]([H])(C3)C2)c1cc(/C=N/c2c(C#N)c3C4CCN(CC4)c3s2)c(c(c1)[N+]([O-])=O)O |
| Stereo: | ACHIRAL |
| logP: | 7.0212 |
| logD: | 6.2652 |
| logSw: | -6.1319 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.697 |
| InChI Key: | NITIONXQJQTXPL-UHFFFAOYSA-N |