2-amino-4-{4-[(4-chlorophenoxy)methyl]-5-methylthiophen-2-yl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{4-[(4-chlorophenoxy)methyl]-5-methylthiophen-2-yl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
2-amino-4-{4-[(4-chlorophenoxy)methyl]-5-methylthiophen-2-yl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | Y509-3442 |
| Compound Name: | 2-amino-4-{4-[(4-chlorophenoxy)methyl]-5-methylthiophen-2-yl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 437.99 |
| Molecular Formula: | C24 H24 Cl N3 O S |
| Smiles: | Cc1c(COc2ccc(cc2)[Cl])cc(c2c3CCCCCCc3nc(c2C#N)N)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.6986 |
| logD: | 6.6985 |
| logSw: | -6.4996 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.334 |
| InChI Key: | TWFLECLYFUYWKW-UHFFFAOYSA-N |