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Chemical ID: 7140008
Chemical ID:
7140008
Name [?]:
2-(4-methoxyphenyl)imino-5-(p-tolylmethylene)thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(cc3)OC)S2
InChi [?]:
InChI=1/C18H16N2O2S/c1-12-3-5-13(6-4-12)11-16-17(21)20-18(23-16)19-14-7-9-15(22-2)10-8-14/h3-11H,1-2H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,3,7,4,6,16,20,17,19,8,2,5,15,18,9,10,13,14,12,11,21,23/E:(3,4)(5,6)(7,8)(9,10)/rA:23nCCCCCCCCCCONCNCCCCCCOCS/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s21;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2O2S |
All Atoms: | 39 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.96728 |
Area: | 524.918 |
Solvation: | -3.15567 |
Coulombic: | -36.6842 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 324.398 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.44 |
LogP (Chemaxon): | 4.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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