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Chemical ID: 7141425
Chemical ID:
7141425
Name [?]:
5-[[5-(2,6-dichlorophenyl)-2-furyl]methylene]-2-(2-naphthylimino)thiazolidin-4-one
SMILES [?]:
c1ccc2cc(ccc2c1)N=C3NC(=O)C(=Cc4ccc(o4)c5c(cccc5Cl)Cl)S3
InChi [?]:
InChI=1/C24H14Cl2N2O2S/c25-18-6-3-7-19(26)22(18)20-11-10-17(30-20)13-21-23(29)28-24(31-21)27-16-9-8-14-4-1-2-5-15(14)12-16/h1-13H,(H,27,28,29)
InChi Info:
AuxInfo=1/1/N:1,2,26,10,3,25,27,8,7,19,20,5,17,9,4,6,18,24,28,21,16,23,14,12,30,29,11,13,15,22,31/E:(6,7)(18,19)(25,26)/rA:31nCCCCCCCCCCNCNCOCCCCCCOCCCCCCClClS/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;w11;s12;s13;d14;s14;w16;s17;d18;s19;d20;s18s21;s21;s23;d24;s25;d26;d23s27;s28;s24;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H14Cl2N2O2S |
All Atoms: | 45 |
Heavy Atoms: | 31 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.5396 |
Area: | 647.715 |
Solvation: | -3.65332 |
Coulombic: | -36.5911 |
Bond Count [?]
All: | 35 |
Single: | 22 |
Double: | 13 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.26 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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