Chemical ID: 7141142

Cc1ccccc1N=C2NC(=O)C(=Cc3ccc(cc3)OCC=C)S2
Chemical ID:
7141142
Name [?]:
5-[(4-allyloxyphenyl)methylene]-2-(o-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccccc1N=C2NC(=O)C(=Cc3ccc(cc3)OCC=C)S2
InChi [?]:
InChI=1/C20H18N2O2S/c1-3-12-24-16-10-8-15(9-11-16)13-18-19(23)22-20(25-18)21-17-7-5-4-6-14(17)2/h3-11,13H,1,12H2,2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:24,1,23,4,5,3,6,16,20,17,19,22,14,2,15,18,7,13,11,9,8,10,12,21,25/E:(8,9)(10,11)/rA:25nCCCCCCCNCNCOCCCCCCCCOCCCS/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s18;s21;s22;d23;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2O2S
All Atoms:43
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.1684
Area:571.856
Solvation:-3.12797
Coulombic:-38.9654
Bond Count [?]
All:27
Single:17
Double:10
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:350.435
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.85
LogP (Chemaxon):5.31

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