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Chemical ID: 7141290
Chemical ID:
7141290
Name [?]:
5-[(4-ethylphenyl)methylene]-2-(p-tolylimino)thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(cc3)C)S2
InChi [?]:
InChI=1/C19H18N2OS/c1-3-14-6-8-15(9-7-14)12-17-18(22)21-19(23-17)20-16-10-4-13(2)5-11-16/h4-12H,3H2,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,2,18,20,4,8,5,7,17,21,9,19,3,6,16,10,11,14,15,13,12,23/E:(4,5)(6,7)(8,9)(10,11)/rA:23nCCCCCCCCCCCONCNCCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2OS |
All Atoms: | 41 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5573 |
Area: | 534.732 |
Solvation: | -1.81098 |
Coulombic: | -30.8181 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 322.425 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.43 |
LogP (Chemaxon): | 5.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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