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Chemical ID: 5561663
Chemical ID:
5561663
Name [?]:
2-(3,5-dimethylphenyl)imino-5-[(2-hydroxy-3-methoxy-phenyl)methylene]thiazolidin-4-one
SMILES [?]:
Cc1cc(cc(c1)N=C2NC(=O)C(=Cc3cccc(c3O)OC)S2)C
InChi [?]:
InChI=1/C19H18N2O3S/c1-11-7-12(2)9-14(8-11)20-19-21-18(23)16(25-19)10-13-5-4-6-15(24-3)17(13)22/h4-10,22H,1-3H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,25,23,17,16,18,3,7,5,14,2,4,15,6,19,13,20,11,9,8,10,21,12,22,24/E:(1,2)(8,9)(11,12)/rA:25nCCCCCCCNCNCOCCCCCCCCOOCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s19;s22;s9s13;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.93814 |
Area: | 560.773 |
Solvation: | -4.08119 |
Coulombic: | -52.5144 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 354.424 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.47 |
LogP (Chemaxon): | 4.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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