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Chemical ID: 7140253
Chemical ID:
7140253
Name [?]:
2-(2-fluorophenyl)imino-5-[[4-(p-tolylmethoxy)phenyl]methylene]thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)COc2ccc(cc2)C=C3C(=O)NC(=Nc4ccccc4F)S3
InChi [?]:
InChI=1/C24H19FN2O2S/c1-16-6-8-18(9-7-16)15-29-19-12-10-17(11-13-19)14-22-23(28)27-24(30-22)26-21-5-3-2-4-20(21)25/h2-14H,15H2,1H3,(H,26,27,28)
InChi Info:
AuxInfo=1/1/N:1,26,25,27,24,3,7,4,6,12,14,11,15,16,8,2,13,5,10,28,23,17,18,21,29,22,20,19,9,30/E:(6,7)(8,9)(10,11)(12,13)/rA:30nCCCCCCCCOCCCCCCCCCONCNCCCCCCFS/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s13;w16;s17;d18;s18;s20;w21;s22;s23;d24;s25;d26;d23s27;s28;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H19FN2O2S |
All Atoms: | 49 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5498 |
Area: | 645.019 |
Solvation: | -4.57567 |
Coulombic: | -42.2698 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 418.484 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.31 |
LogP (Chemaxon): | 6.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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