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Chemical ID: 7140374
Chemical ID:
7140374
Name [?]:
5-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylene]-2-(2,3-dimethylphenyl)imino-thiazolidin-4-one
SMILES [?]:
Cc1cccc(c1C)N=C2NC(=O)C(=Cc3ccc(c(c3)OC)OCc4ccc(cc4)Cl)S2
InChi [?]:
InChI=1/C26H23ClN2O3S/c1-16-5-4-6-21(17(16)2)28-26-29-25(30)24(33-26)14-19-9-12-22(23(13-19)31-3)32-15-18-7-10-20(27)11-8-18/h4-14H,15H2,1-3H3,(H,28,29,30)
InChi Info:
AuxInfo=1/1/N:1,8,23,4,3,5,27,31,17,28,30,18,21,15,25,2,7,26,16,29,6,19,20,14,12,10,32,9,11,13,22,24,33/E:(7,8)(10,11)/rA:33nCCCCCCCCNCNCOCCCCCCCCOCOCCCCCCCClS/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;s25;s26;d27;s28;d29;d26s30;s29;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H23ClN2O3S |
All Atoms: | 56 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4862 |
Area: | 725.079 |
Solvation: | -5.64075 |
Coulombic: | -45.099 |
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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