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Chemical ID: 7140494
Chemical ID:
7140494
Name [?]:
5-[[5-(3-chlorophenyl)-2-furyl]methylene]-2-(p-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(o3)c4cccc(c4)Cl)S2
InChi [?]:
InChI=1/C21H15ClN2O2S/c1-13-5-7-16(8-6-13)23-21-24-20(25)19(27-21)12-17-9-10-18(26-17)14-3-2-4-15(22)11-14/h2-12H,1H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,22,21,23,3,7,4,6,16,17,25,14,2,20,24,5,15,18,13,11,9,26,8,10,12,19,27/E:(5,6)(7,8)/rA:27nCCCCCCCNCNCOCCCCCCOCCCCCCClS/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;d11;s11;w13;s14;d15;s16;d17;s15s18;s18;s20;d21;s22;d23;d20s24;s24;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H15ClN2O2S |
All Atoms: | 42 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5223 |
Area: | 594.266 |
Solvation: | -3.3344 |
Coulombic: | -36.0259 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 394.875 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.8 |
LogP (Chemaxon): | 5.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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