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Chemical ID: 7706018
Chemical ID:
7706018
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)c2nc(sn2)SCC(=O)Nc3ccc(cc3)NC(=O)C
InChi [?]:
InChI=1/C19H18N4O2S2/c1-12-3-5-14(6-4-12)18-22-19(27-23-18)26-11-17(25)21-16-9-7-15(8-10-16)20-13(2)24/h3-10H,11H2,1-2H3,(H,20,24)(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,27,3,7,4,6,20,22,19,23,14,2,25,5,21,18,15,8,10,24,17,9,12,26,16,13,11/E:(3,4)(5,6)(7,8)(9,10)/rA:27nCCCCCCCCNCSNSCCONCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s24;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N4O2S2 |
All Atoms: | 45 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.5336 |
Area: | 632.737 |
Solvation: | -4.2848 |
Coulombic: | -49.9137 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.52 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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