Chemical ID: 4296154

c1ccc(cc1)N2C(=O)C(=Cc3ccccc3OCc4ccc(cc4Cl)Cl)SC2=S
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

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Descriptor Annotations

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