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Chemical ID: 5840216
Chemical ID:
5840216
Name [?]:
4-methyl-N-[5-[(5-methyl-2-furyl)methylene]-4-oxo-thiazolidin-2-ylidene]-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)N=C2NC(=O)C(=Cc3ccc(o3)C)S2
InChi [?]:
InChI=1/C16H14N2O4S2/c1-10-3-7-13(8-4-10)24(20,21)18-16-17-15(19)14(23-16)9-12-6-5-11(2)22-12/h3-9H,1-2H3,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,23,3,7,20,19,4,6,17,2,21,18,5,16,14,12,13,11,15,9,10,22,24,8/E:(3,4)(7,8)(20,21)/CRV:24.6/rA:24nCCCCCCCSOONCNCOCCCCCCOCS/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;w11;s12;s13;d14;s14;w16;s17;d18;s19;d20;s18s21;s21;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14N2O4S2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.134 |
Area: | 550.093 |
Solvation: | -3.61838 |
Coulombic: | -34.4274 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 362.425 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.23 |
LogP (Chemaxon): | 2.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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