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Chemical ID: 7140477
Chemical ID:
7140477
Name [?]:
5-[[5-(2-chlorophenyl)-2-furyl]methylene]-2-(4-chlorophenyl)imino-thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)c2ccc(o2)C=C3C(=O)NC(=Nc4ccc(cc4)Cl)S3)Cl
InChi [?]:
InChI=1/C20H12Cl2N2O2S/c21-12-5-7-13(8-6-12)23-20-24-19(25)18(27-20)11-14-9-10-17(26-14)15-3-1-2-4-16(15)22/h1-11H,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,21,23,20,24,9,8,12,22,19,10,5,4,7,13,14,17,25,27,18,16,15,11,26/E:(5,6)(7,8)/rA:27nCCCCCCCCCCOCCCONCNCCCCCCClSCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s10;w12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s22;s13s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H12Cl2N2O2S |
All Atoms: | 39 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3787 |
Area: | 599.804 |
Solvation: | -3.61636 |
Coulombic: | -35.8305 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 415.293 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.99 |
LogP (Chemaxon): | 5.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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