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Chemical ID: 7141166
Chemical ID:
7141166
Name [?]:
5-[(4-dimethylaminophenyl)methylene]-2-(2,4-dimethylphenyl)imino-thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)C)N=C2NC(=O)C(=Cc3ccc(cc3)N(C)C)S2
InChi [?]:
InChI=1/C20H21N3OS/c1-13-5-10-17(14(2)11-13)21-20-22-19(24)18(25-20)12-15-6-8-16(9-7-15)23(3)4/h5-12H,1-4H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,8,23,24,3,17,21,18,20,4,7,15,2,6,16,19,5,14,12,10,9,11,22,13,25/E:(3,4)(6,7)(8,9)/rA:25nCCCCCCCCNCNCOCCCCCCCCNCCS/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;s22;s22;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21N3OS |
All Atoms: | 46 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8993 |
Area: | 569.511 |
Solvation: | -2.33845 |
Coulombic: | -35.817 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 351.466 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.96 |
LogP (Chemaxon): | 5.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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