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Chemical ID: 4634346
Chemical ID:
4634346
Name [?]:
5-[[5-(4-chlorophenyl)-2-furyl]methylene]-2-(3,5-dimethylphenyl)imino-thiazolidin-4-one
SMILES [?]:
Cc1cc(cc(c1)N=C2NC(=O)C(=Cc3ccc(o3)c4ccc(cc4)Cl)S2)C
InChi [?]:
InChI=1/C22H17ClN2O2S/c1-13-9-14(2)11-17(10-13)24-22-25-21(26)20(28-22)12-18-7-8-19(27-18)15-3-5-16(23)6-4-15/h3-12H,1-2H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,28,21,25,22,24,16,17,3,7,5,14,2,4,20,23,6,15,18,13,11,9,26,8,10,12,19,27/E:(1,2)(3,4)(5,6)(10,11)(13,14)/rA:28nCCCCCCCNCNCOCCCCCCOCCCCCCClSC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;d15;s16;d17;s15s18;s18;s20;d21;s22;d23;d20s24;s23;s9s13;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H17ClN2O2S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.5311 |
Area: | 627.736 |
Solvation: | -3.16231 |
Coulombic: | -35.9327 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 408.901 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.24 |
LogP (Chemaxon): | 6.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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