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Chemical ID: 7140377
Chemical ID:
7140377
Name [?]:
5-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylene]-2-(2,5-dimethylphenyl)imino-thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(c(c3)OC)OCc4ccc(cc4)Cl)S2)C
InChi [?]:
InChI=1/C26H23ClN2O3S/c1-16-4-5-17(2)21(12-16)28-26-29-25(30)24(33-26)14-19-8-11-22(23(13-19)31-3)32-15-18-6-9-20(27)10-7-18/h4-14H,15H2,1-3H3,(H,28,29,30)
InChi Info:
AuxInfo=1/1/N:1,33,22,3,4,26,30,16,27,29,17,7,20,14,24,2,5,25,15,28,6,18,19,13,11,9,31,8,10,12,21,23,32/E:(6,7)(9,10)/rA:33nCCCCCCCNCNCOCCCCCCCCOCOCCCCCCCClSC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s24;s25;d26;s27;d28;d25s29;s28;s9s13;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H23ClN2O3S |
All Atoms: | 56 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3411 |
Area: | 720.917 |
Solvation: | -5.6818 |
Coulombic: | -45.0484 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 2 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 478.991 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.65 |
LogP (Chemaxon): | 7.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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