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Chemical ID: 4296154
Chemical ID:
4296154
Name [?]:
5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylene]-3-phenyl-2-thioxo-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N2C(=O)C(=Cc3ccccc3OCc4ccc(cc4Cl)Cl)SC2=S
InChi [?]:
InChI=1/C23H15Cl2NO2S2/c24-17-11-10-16(19(25)13-17)14-28-20-9-5-4-6-15(20)12-21-22(27)26(23(29)30-21)18-7-2-1-3-8-18/h1-13H,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,14,15,13,3,5,16,21,22,11,24,19,12,20,23,4,25,17,10,8,29,27,26,7,9,18,30,28/E:(2,3)(7,8)/rA:30nCCCCCCNCOCCCCCCCCOCCCCCCCClClSCS/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s17;s18;s19;s20;d21;s22;d23;d20s24;s25;s23;s10;s7s28;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H15Cl2NO2S2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.5139 |
Area: | 680.234 |
Solvation: | -2.49198 |
Coulombic: | -30.6588 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 472.408 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 6.26 |
LogP (Chemaxon): | 7.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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