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Chemical ID: 7706016
Chemical ID:
7706016
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)c2nc(sn2)SCC(=O)Nc3ccc(cc3)C(=O)OC
InChi [?]:
InChI=1/C19H17N3O3S2/c1-12-3-5-13(6-4-12)17-21-19(27-22-17)26-11-16(23)20-15-9-7-14(8-10-15)18(24)25-2/h3-10H,11H2,1-2H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,27,3,7,4,6,20,22,19,23,14,2,5,21,18,15,8,24,10,17,9,12,16,25,26,13,11/E:(3,4)(5,6)(7,8)(9,10)/rA:27nCCCCCCCCNCSNSCCONCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;d24;s24;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17N3O3S2 |
All Atoms: | 44 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.1087 |
Area: | 635.96 |
Solvation: | -3.79025 |
Coulombic: | -51.2942 |
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: | 3.62 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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