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Chemical ID: 4326071
Chemical ID:
4326071
Name [?]:
5-[(2,5-dimethoxyphenyl)methylene]-2-(2,6-dimethylphenyl)imino-3-phenyl-thiazolidin-4-one
SMILES [?]:
Cc1cccc(c1N=C2N(C(=O)C(=Cc3cc(ccc3OC)OC)S2)c4ccccc4)C
InChi [?]:
InChI=1/C26H24N2O3S/c1-17-9-8-10-18(2)24(17)27-26-28(20-11-6-5-7-12-20)25(29)23(32-26)16-19-15-21(30-3)13-14-22(19)31-4/h5-16H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,32,24,22,29,28,30,4,3,5,27,31,18,19,16,14,2,6,15,26,17,20,13,7,11,9,8,10,12,23,21,25/E:(1,2)(6,7)(9,10)(11,12)(17,18)/rA:32nCCCCCCCNCNCOCCCCCCCCOCOCSCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s21;s17;s23;s9s13;s10;s26;d27;s28;d29;d26s30;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H24N2O3S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4725 |
Area: | 608.249 |
Solvation: | -4.73368 |
Coulombic: | -40.0601 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 2 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 444.546 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.08 |
LogP (Chemaxon): | 6.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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