2-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-(4-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-(4-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
2-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-(4-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Compound characteristics
Compound ID: | 8004-3527 |
Compound Name: | 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-(4-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile |
Molecular Weight: | 433.01 |
Molecular Formula: | C26 H25 Cl N2 S |
Smiles: | CC(C)(C)c1ccc(CSc2c(C#N)c(c3ccc(cc3)[Cl])c3CCCc3n2)cc1 |
Stereo: | ACHIRAL |
logP: | 7.9518 |
logD: | 7.9518 |
logSw: | -7.0023 |
Hydrogen bond acceptors count: | 3 |
Polar surface area: | 27.2862 |
InChI Key: | IZODHYBXWNNZDP-UHFFFAOYSA-N |