Chemical ID: 7668794

Cc1ccc(c2c1sc(n2)N3CCN(CC3)c4nc5ccccc5s4)OC
Chemical ID:
7668794
Name [?]:
None
SMILES [?]:
Cc1ccc(c2c1sc(n2)N3CCN(CC3)c4nc5ccccc5s4)OC
InChi [?]:
InChI=1/C20H20N4OS2/c1-13-7-8-15(25-2)17-18(13)27-20(22-17)24-11-9-23(10-12-24)19-21-14-5-3-4-6-16(14)26-19/h3-8H,9-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,21,22,20,23,3,4,13,15,12,16,2,19,5,24,6,7,17,9,18,10,14,11,26,25,8/E:(9,10)(11,12)/rA:27nCCCCCCCSCNNCCNCCCNCCCCCCSOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s6d9;s9;s11;s12;s13;s14;s11s15;s14;d17;s18;s19;d20;s21;d22;d19s23;s17s24;s5;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N4OS2
All Atoms:47
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:11.1536
Area:590.995
Solvation:-3.62129
Coulombic:-35.4969
Bond Count [?]
All:31
Single:23
Double:8
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.0
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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