2-amino-4-{4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
2-amino-4-{4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | Y501-4748 |
| Compound Name: | 2-amino-4-{4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 482.44 |
| Molecular Formula: | C24 H24 Br N3 O S |
| Smiles: | Cc1c(COc2ccccc2[Br])cc(c2c3CCCCCCc3nc(c2C#N)N)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.6933 |
| logD: | 6.6931 |
| logSw: | -5.7518 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.421 |
| InChI Key: | PDKOTYULMVEXSU-UHFFFAOYSA-N |