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Chemical ID: 7141142
Chemical ID:
7141142
Name [?]:
5-[(4-allyloxyphenyl)methylene]-2-(o-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccccc1N=C2NC(=O)C(=Cc3ccc(cc3)OCC=C)S2
InChi [?]:
InChI=1/C20H18N2O2S/c1-3-12-24-16-10-8-15(9-11-16)13-18-19(23)22-20(25-18)21-17-7-5-4-6-14(17)2/h3-11,13H,1,12H2,2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:24,1,23,4,5,3,6,16,20,17,19,22,14,2,15,18,7,13,11,9,8,10,12,21,25/E:(8,9)(10,11)/rA:25nCCCCCCCNCNCOCCCCCCCCOCCCS/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s18;s21;s22;d23;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18N2O2S |
All Atoms: | 43 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1684 |
Area: | 571.856 |
Solvation: | -3.12797 |
Coulombic: | -38.9654 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 350.435 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.85 |
LogP (Chemaxon): | 5.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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