2-({2-[(4-chlorophenyl)methanesulfonyl]ethyl}sulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-({2-[(4-chlorophenyl)methanesulfonyl]ethyl}sulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-({2-[(4-chlorophenyl)methanesulfonyl]ethyl}sulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
Compound ID: | 4378-0047 |
Compound Name: | 2-({2-[(4-chlorophenyl)methanesulfonyl]ethyl}sulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
Molecular Weight: | 406.95 |
Molecular Formula: | C19 H19 Cl N2 O2 S2 |
Smiles: | C1CCc2c(C1)cc(C#N)c(n2)SCCS(Cc1ccc(cc1)[Cl])(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.7945 |
logD: | 3.7945 |
logSw: | -4.4379 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 55.492 |
InChI Key: | PIPXFFBVYZHJGR-UHFFFAOYSA-N |