Chemical ID: 7140159

Cc1ccccc1N=C2NC(=O)C(=Cc3ccc(c(c3)OC)OC)S2
Chemical ID:
7140159
Name [?]:
5-[(3,4-dimethoxyphenyl)methylene]-2-(o-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccccc1N=C2NC(=O)C(=Cc3ccc(c(c3)OC)OC)S2
InChi [?]:
InChI=1/C19H18N2O3S/c1-12-6-4-5-7-14(12)20-19-21-18(22)17(25-19)11-13-8-9-15(23-2)16(10-13)24-3/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,22,4,5,3,6,16,17,20,14,2,15,7,18,19,13,11,9,8,10,12,23,21,25/rA:25nCCCCCCCNCNCOCCCCCCCCOCOCS/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O3S
All Atoms:43
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.56734
Area:557.932
Solvation:-5.38095
Coulombic:-43.0653
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:354.424
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.88
LogP (Chemaxon):4.31

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