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Chemical ID: 7140573
Chemical ID:
7140573
Name [?]:
2-(2-chlorophenyl)imino-5-[[5-(3,4-dichlorophenyl)-2-furyl]methylene]thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(o3)c4ccc(c(c4)Cl)Cl)S2)Cl
InChi [?]:
InChI=1/C20H11Cl3N2O2S/c21-13-7-5-11(9-15(13)23)17-8-6-12(27-17)10-18-19(26)25-20(28-18)24-16-4-2-1-3-14(16)22/h1-10H,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,20,15,21,16,24,13,19,14,22,4,23,5,17,12,10,8,26,28,25,7,9,11,18,27/rA:28nCCCCCCNCNCOCCCCCCOCCCCCCClClSCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;w12;s13;d14;s15;d16;s14s17;s17;s19;d20;s21;d22;d19s23;s23;s22;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H11Cl3N2O2S |
All Atoms: | 39 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4631 |
Area: | 635.421 |
Solvation: | -3.42238 |
Coulombic: | -36.5733 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 449.738 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.61 |
LogP (Chemaxon): | 6.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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