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Chemical ID: 6463757
Chemical ID:
6463757
Name [?]:
5-[(2,5-dimethoxyphenyl)methylene]-3-(4-fluorophenyl)-2-(4-fluorophenyl)imino-thiazolidin-4-one
SMILES [?]:
COc1ccc(c(c1)C=C2C(=O)N(C(=Nc3ccc(cc3)F)S2)c4ccc(cc4)F)OC
InChi [?]:
InChI=1/C24H18F2N2O3S/c1-30-20-11-12-21(31-2)15(13-20)14-22-23(29)28(19-9-5-17(26)6-10-19)24(32-22)27-18-7-3-16(25)4-8-18/h3-14H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,18,20,26,28,17,21,25,29,4,5,8,9,7,19,27,16,24,3,6,10,11,14,22,30,15,13,12,2,31,23/E:(3,4)(5,6)(7,8)(9,10)/rA:32nCOCCCCCCCCCONCNCCCCCCFSCCCCCCFOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s10s14;s13;s24;d25;s26;d27;d24s28;s27;s6;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18F2N2O3S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.96199 |
Area: | 588.261 |
Solvation: | -6.74453 |
Coulombic: | -45.3789 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 2 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 452.474 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.95 |
LogP (Chemaxon): | 6.05 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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