Chemical ID: 5029395

Cc1ccc(cc1)C2=NC(=O)C(=Cc3cc(ccc3OC)OC)S2
Chemical ID:
5029395
Name [?]:
5-[(2,5-dimethoxyphenyl)methylene]-2-(p-tolyl)thiazol-4-one
SMILES [?]:
Cc1ccc(cc1)C2=NC(=O)C(=Cc3cc(ccc3OC)OC)S2
InChi [?]:
InChI=1/C19H17NO3S/c1-12-4-6-13(7-5-12)19-20-18(21)17(24-19)11-14-10-15(22-2)8-9-16(14)23-3/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,21,3,7,4,6,17,18,15,13,2,5,14,16,19,12,10,8,9,11,22,20,24/E:(4,5)(6,7)/rA:24nCCCCCCCCNCOCCCCCCCCOCOCS/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s20;s16;s22;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17NO3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.32795
Area:545.602
Solvation:-4.31211
Coulombic:-32.5946
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:339.409
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.94
LogP (Chemaxon):3.76

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