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Chemical ID: 6165725
Chemical ID:
6165725
Name [?]:
5-[(3-methoxy-4-methyl-phenyl)methylene]-3-phenyl-thiazolidine-2,4-dione
SMILES [?]:
Cc1ccc(cc1OC)C=C2C(=O)N(C(=O)S2)c3ccccc3
InChi [?]:
InChI=1/C18H15NO3S/c1-12-8-9-13(10-15(12)22-2)11-16-17(20)19(18(21)23-16)14-6-4-3-5-7-14/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,21,20,22,19,23,3,4,6,10,2,5,18,7,11,12,15,14,13,16,8,17/E:(4,5)(6,7)/rA:23nCCCCCCCOCCCCONCOSCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s5;w10;s11;d12;s12;s14;d15;s11s15;s14;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15NO3S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.06974 |
Area: | 512.696 |
Solvation: | -3.74766 |
Coulombic: | -36.0885 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 325.383 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.28 |
LogP (Chemaxon): | 3.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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