Free Chemical Databases
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[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 336.44906 [g/mol] Molecular Formula C17H24N2O3S XLogP 2.3 H-Bond Donor 1 H-Bond Acceptor 4 Rotatable Bond Count 7 Exact Mass 336.150763 MonoIsotopic Mass 336.150763 Topological Polar Surface Area 50.8 Heavy Atom Count 23 Formal Charge 0 Complexity 407 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-[3-(2-methylpropylamino)propyl]-1,
3-thiazolidin-4-one
Canonical SMILES: CC(C)CNCCCN1C(SCC1=O)C2=CC3=C(C=C2)OCO3
InChI: InChI=1/C17H24N2O3S/c1-12(2)9-18-6-3-7-19-16(20)10-23-17(19)13-4-5-14-15
(8-13)22-11-21-14/h4-5,8,12,17-18H,3,6-7,9-11H2,1-2H3
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