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Chemical ID: 6452773
Chemical ID:
6452773
Name [?]:
3-(4-ethylphenyl)-2-(4-ethylphenyl)imino-5-[(4-hydroxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)N=C2N(C(=O)C(=Cc3ccc(cc3)O)S2)c4ccc(cc4)CC
InChi [?]:
InChI=1/C26H24N2O2S/c1-3-18-5-11-21(12-6-18)27-26-28(22-13-7-19(4-2)8-14-22)25(30)24(31-26)17-20-9-15-23(29)16-10-20/h5-17,29H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,2,30,4,8,26,28,17,21,5,7,25,29,18,20,15,3,27,16,6,24,19,14,12,10,9,11,22,13,23/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:31nCCCCCCCCNCNCOCCCCCCCCOSCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;s10s14;s11;s24;d25;s26;d27;d24s28;s27;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H24N2O2S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0764 |
Area: | 603.791 |
Solvation: | -3.01834 |
Coulombic: | -42.8387 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 2 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 428.547 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 6.2 |
LogP (Chemaxon): | 7.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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