2-amino-4-{4-[(4-chloro-2-methylphenoxy)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-chloro-2-methylphenoxy)methyl]-5-methylthiophen-2-yl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
2-amino-4-{4-[(4-chloro-2-methylphenoxy)methyl]-5-methylthiophen-2-yl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | Y501-4740 |
| Compound Name: | 2-amino-4-{4-[(4-chloro-2-methylphenoxy)methyl]-5-methylthiophen-2-yl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 437.99 |
| Molecular Formula: | C24 H24 Cl N3 O S |
| Smiles: | Cc1cc(ccc1OCc1cc(c2c3CCCCCc3nc(c2C#N)N)sc1C)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.1107 |
| logD: | 7.1104 |
| logSw: | -6.5309 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.421 |
| InChI Key: | WDRGRQMFAHHTEK-UHFFFAOYSA-N |