2-amino-4-(4-bromo-5-ethylthiophen-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-bromo-5-ethylthiophen-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
2-amino-4-(4-bromo-5-ethylthiophen-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 3830-0896 |
| Compound Name: | 2-amino-4-(4-bromo-5-ethylthiophen-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 390.34 |
| Molecular Formula: | C18 H20 Br N3 S |
| Smiles: | CCc1c(cc(c2c3CCCCCCc3nc(c2C#N)N)s1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.7772 |
| logD: | 5.777 |
| logSw: | -5.5558 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.106 |
| InChI Key: | IQKKIGMYCKKASN-UHFFFAOYSA-N |