2-amino-4-(5-butyl-4-nitrothiophen-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(5-butyl-4-nitrothiophen-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
2-amino-4-(5-butyl-4-nitrothiophen-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8008-0597 |
| Compound Name: | 2-amino-4-(5-butyl-4-nitrothiophen-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 384.5 |
| Molecular Formula: | C20 H24 N4 O2 S |
| Smiles: | CCCCc1c(cc(c2c3CCCCCCc3nc(c2C#N)N)s1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.0462 |
| logD: | 6.046 |
| logSw: | -5.548 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.187 |
| InChI Key: | JCOSTLONBRVJPD-UHFFFAOYSA-N |