2-amino-4-(5-methyl-4-nitrothiophen-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(5-methyl-4-nitrothiophen-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
2-amino-4-(5-methyl-4-nitrothiophen-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 3830-0897 |
| Compound Name: | 2-amino-4-(5-methyl-4-nitrothiophen-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 342.42 |
| Molecular Formula: | C17 H18 N4 O2 S |
| Smiles: | Cc1c(cc(c2c3CCCCCCc3nc(c2C#N)N)s1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5503 |
| logD: | 4.5501 |
| logSw: | -4.6676 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.187 |
| InChI Key: | FBSYBFQHNSGBNS-UHFFFAOYSA-N |