Chemical ID: 7140133

COc1ccc(c(c1)OC)C=C2C(=O)NC(=Nc3ccccc3OC)S2
Chemical ID:
7140133
Name [?]:
5-[(2,4-dimethoxyphenyl)methylene]-2-(2-methoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
COc1ccc(c(c1)OC)C=C2C(=O)NC(=Nc3ccccc3OC)S2
InChi [?]:
InChI=1/C19H18N2O4S/c1-23-13-9-8-12(16(11-13)25-3)10-17-18(22)21-19(26-17)20-14-6-4-5-7-15(14)24-2/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,10,20,21,19,22,5,4,11,8,6,3,18,23,7,12,13,16,17,15,14,2,24,9,26/rA:26nCOCCCCCCOCCCCONCNCCCCCCOCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;w11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s23;s24;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O4S
All Atoms:44
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.49299
Area:574.655
Solvation:-5.87338
Coulombic:-50.2399
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:370.423
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.84
LogP (Chemaxon):3.59

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