Chemical ID: 5281776

COc1cccc(c1OC)C=C2C(=O)NC(=Nc3cc(cc(c3)Cl)Cl)S2
Chemical ID:
5281776
Name [?]:
2-(3,5-dichlorophenyl)imino-5-[(2,3-dimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1cccc(c1OC)C=C2C(=O)NC(=Nc3cc(cc(c3)Cl)Cl)S2
InChi [?]:
InChI=1/C18H14Cl2N2O3S/c1-24-14-5-3-4-10(16(14)25-2)6-15-17(23)22-18(26-15)21-13-8-11(19)7-12(20)9-13/h3-9H,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,10,5,6,4,11,21,19,23,7,20,22,18,3,12,8,13,16,25,24,17,15,14,2,9,26/E:(8,9)(11,12)(19,20)/rA:26nCOCCCCCCOCCCCONCNCCCCCCClClS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;w11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s22;s20;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14Cl2N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.5553
Area:602.746
Solvation:-4.51335
Coulombic:-43.8796
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:409.287
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.9
LogP (Chemaxon):4.88

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