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Chemical ID: 7140013
Chemical ID:
7140013
Name [?]:
2-(3,4-dimethylphenyl)imino-5-(p-tolylmethylene)thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(c(c3)C)C)S2
InChi [?]:
InChI=1/C19H18N2OS/c1-12-4-7-15(8-5-12)11-17-18(22)21-19(23-17)20-16-9-6-13(2)14(3)10-16/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,21,3,7,17,4,6,16,20,8,2,18,19,5,15,9,10,13,14,12,11,23/E:(4,5)(7,8)/rA:23nCCCCCCCCCCONCNCCCCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s18;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2OS |
All Atoms: | 41 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4129 |
Area: | 529.02 |
Solvation: | -1.81261 |
Coulombic: | -30.2519 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 322.425 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.4 |
LogP (Chemaxon): | 5.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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