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Chemical ID: 7140244
Chemical ID:
7140244
Name [?]:
2-(4-methoxyphenyl)imino-5-[[4-(p-tolylmethoxy)phenyl]methylene]thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)COc2ccc(cc2)C=C3C(=O)NC(=Nc4ccc(cc4)OC)S3
InChi [?]:
InChI=1/C25H22N2O3S/c1-17-3-5-19(6-4-17)16-30-22-11-7-18(8-12-22)15-23-24(28)27-25(31-23)26-20-9-13-21(29-2)14-10-20/h3-15H,16H2,1-2H3,(H,26,27,28)
InChi Info:
AuxInfo=1/1/N:1,30,3,7,4,6,12,14,24,28,11,15,25,27,16,8,2,13,5,23,26,10,17,18,21,22,20,19,29,9,31/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:31nCCCCCCCCOCCCCCCCCCONCNCCCCCCOCS/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s13;w16;s17;d18;s18;s20;w21;s22;s23;d24;s25;d26;d23s27;s26;s29;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H22N2O3S |
All Atoms: | 53 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.999 |
Area: | 676.241 |
Solvation: | -4.90703 |
Coulombic: | -44.8781 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 2 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 430.52 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.07 |
LogP (Chemaxon): | 6.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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