2-amino-4-{4-[(4-chlorophenoxy)methyl]-5-methylthiophen-2-yl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{4-[(4-chlorophenoxy)methyl]-5-methylthiophen-2-yl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
2-amino-4-{4-[(4-chlorophenoxy)methyl]-5-methylthiophen-2-yl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | Y501-3955 |
| Compound Name: | 2-amino-4-{4-[(4-chlorophenoxy)methyl]-5-methylthiophen-2-yl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 423.96 |
| Molecular Formula: | C23 H22 Cl N3 O S |
| Smiles: | Cc1c(COc2ccc(cc2)[Cl])cc(c2c3CCCCCc3nc(c2C#N)N)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.2027 |
| logD: | 6.2024 |
| logSw: | -6.2249 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.334 |
| InChI Key: | OWMZSIJQASYJKG-UHFFFAOYSA-N |