Chemical ID: 7706016

Cc1ccc(cc1)c2nc(sn2)SCC(=O)Nc3ccc(cc3)C(=O)OC
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

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Experimental Annotations

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Descriptor Annotations

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