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Chemical ID: 5541109
Chemical ID:
5541109
Name [?]:
5-[(3-methoxyphenyl)methylene]-3-methyl-2-(p-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)N=C2N(C(=O)C(=Cc3cccc(c3)OC)S2)C
InChi [?]:
InChI=1/C19H18N2O2S/c1-13-7-9-15(10-8-13)20-19-21(2)18(22)17(24-19)12-14-5-4-6-16(11-14)23-3/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,22,17,16,18,3,7,4,6,20,14,2,15,5,19,13,11,9,8,10,12,21,23/E:(7,8)(9,10)/rA:24nCCCCCCCNCNCOCCCCCCCCOCSC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s9s13;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0929 |
Area: | 527.408 |
Solvation: | -3.09227 |
Coulombic: | -32.893 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 338.424 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.59 |
LogP (Chemaxon): | 4.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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