2-amino-4-{4-[(2-chlorophenoxy)methyl]-5-ethylthiophen-2-yl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{4-[(2-chlorophenoxy)methyl]-5-ethylthiophen-2-yl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
2-amino-4-{4-[(2-chlorophenoxy)methyl]-5-ethylthiophen-2-yl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8015-5136 |
| Compound Name: | 2-amino-4-{4-[(2-chlorophenoxy)methyl]-5-ethylthiophen-2-yl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 452.02 |
| Molecular Formula: | C25 H26 Cl N3 O S |
| Smiles: | CCc1c(COc2ccccc2[Cl])cc(c2c3CCCCCCc3nc(c2C#N)N)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.9817 |
| logD: | 6.9816 |
| logSw: | -6.5895 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.421 |
| InChI Key: | ZLBARYSLPYVQEM-UHFFFAOYSA-N |