2-amino-4-(5-butyl-4-nitrothiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(5-butyl-4-nitrothiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
2-amino-4-(5-butyl-4-nitrothiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8008-0600 |
| Compound Name: | 2-amino-4-(5-butyl-4-nitrothiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 370.47 |
| Molecular Formula: | C19 H22 N4 O2 S |
| Smiles: | CCCCc1c(cc(c2c3CCCCCc3nc(c2C#N)N)s1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5502 |
| logD: | 5.5499 |
| logSw: | -5.5079 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.187 |
| InChI Key: | IVGNKGZQVRPTJT-UHFFFAOYSA-N |