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Chemical ID: 7140464
Chemical ID:
7140464
Name [?]:
5-[[5-(2-chlorophenyl)-2-furyl]methylene]-2-(4-ethylphenyl)imino-thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(o3)c4ccccc4Cl)S2
InChi [?]:
InChI=1/C22H17ClN2O2S/c1-2-14-7-9-15(10-8-14)24-22-25-21(26)20(28-22)13-16-11-12-19(27-16)17-5-3-4-6-18(17)23/h3-13H,2H2,1H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,23,24,22,25,4,8,5,7,17,18,15,3,6,16,21,26,19,14,12,10,27,9,11,13,20,28/E:(7,8)(9,10)/rA:28nCCCCCCCCNCNCOCCCCCCOCCCCCCClS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;d16;s17;d18;s16s19;s19;s21;d22;s23;d24;d21s25;s26;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H17ClN2O2S |
All Atoms: | 45 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5102 |
Area: | 603.547 |
Solvation: | -3.57844 |
Coulombic: | -35.8511 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 408.901 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.27 |
LogP (Chemaxon): | 6.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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