2-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
2-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | Y501-5247 |
| Compound Name: | 2-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 462.06 |
| Molecular Formula: | C27 H28 Cl N3 S |
| Smiles: | Cc1cc(C)c(cc1CSc1ccc(cc1)[Cl])c1c2CCCCCCc2nc(c1C#N)N |
| Stereo: | ACHIRAL |
| logP: | 7.9376 |
| logD: | 7.9369 |
| logSw: | -6.9797 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.816 |
| InChI Key: | RXJUJPNIVMTEDQ-UHFFFAOYSA-N |