2-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
2-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | Y501-5243 |
| Compound Name: | 2-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 448.03 |
| Molecular Formula: | C26 H26 Cl N3 S |
| Smiles: | Cc1cc(C)c(cc1CSc1ccc(cc1)[Cl])c1c2CCCCCc2nc(c1C#N)N |
| Stereo: | ACHIRAL |
| logP: | 7.4417 |
| logD: | 7.4404 |
| logSw: | -6.8379 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.816 |
| InChI Key: | RWDLYWLDZXGHKU-UHFFFAOYSA-N |