Trodat
2-[2-[[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methyl-(2-sulfanylethyl)amino]ethylamino]ethanethiol
Molecular Identity
Trodat
2-[2-[[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methyl-(2-sulfanylethyl)amino]ethylamino]ethanethiol
PubChem CID: 20659034
2D Structure
Properties
C21H34ClN3S2
Molecular Formula
428.10
Molecular Weight
g/mol
427.1883
Exact Mass
Da
3.8
XLogP
Drug-like (Lipinski: < 5)
20.5
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
434
Complexity
SMILES
Canonical SMILES
SMILES: CN1C2CCC1C(C(C2)C3=CC=C(C=C3)Cl)CN(CCNCCS)CCSIsomeric SMILES
SMILES: CN1C2CCC1C(C(C2)C3=CC=C(C=C3)Cl)CN(CCNCCS)CCSSynonyms(6)
trodatTropantiol (INN/USAN)SCHEMBL29462492DTXSID50940523D090262-({2-[{[3-(4-Chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methyl}(2-sulfanylethyl)amino]ethyl}amino)ethane-1-thiol
Data from PubChem (NCBI)
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Drug Network
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