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Chemical ID: 6463497
Chemical ID:
6463497
Name [?]:
3-(3,5-dimethylphenyl)-2-(3,5-dimethylphenyl)imino-5-[[5-(4-fluorophenyl)-2-furyl]methylene]thiazolidin-4-one
SMILES [?]:
Cc1cc(cc(c1)N=C2N(C(=O)C(=Cc3ccc(o3)c4ccc(cc4)F)S2)c5cc(cc(c5)C)C)C
InChi [?]:
InChI=1/C30H25FN2O2S/c1-18-11-19(2)14-24(13-18)32-30-33(25-15-20(3)12-21(4)16-25)29(34)28(36-30)17-26-9-10-27(35-26)22-5-7-23(31)8-6-22/h5-17H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,36,34,35,21,25,22,24,16,17,3,31,7,5,33,29,14,2,4,32,30,20,23,6,28,15,18,13,11,9,26,8,10,12,19,27/E:(1,2)(3,4)(5,6)(7,8)(13,14)(15,16)(18,19)(20,21)/rA:36nCCCCCCCNCNCOCCCCCCOCCCCCCFSCCCCCCCCC/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;s10;s28;d29;s30;d31;d28s32;s32;s30;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H25FN2O2S |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0861 |
Area: | 653.779 |
Solvation: | -4.25833 |
Coulombic: | -35.1671 |
Bond Count [?]
All: | 40 |
Single: | 26 |
Double: | 14 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 496.596 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 7.36 |
LogP (Chemaxon): | 8.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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