Chemical ID: 7668569

COc1ccc2c(c1)sc(n2)N3CCN(CC3)c4nc5ccccc5s4
Chemical ID:
7668569
Name [?]:
None
SMILES [?]:
COc1ccc2c(c1)sc(n2)N3CCN(CC3)c4nc5ccccc5s4
InChi [?]:
InChI=1/C19H18N4OS2/c1-24-13-6-7-15-17(12-13)26-19(21-15)23-10-8-22(9-11-23)18-20-14-4-2-3-5-16(14)25-18/h2-7,12H,8-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,22,23,21,24,4,5,14,16,13,17,8,3,20,6,25,7,18,10,19,11,15,12,2,26,9/E:(8,9)(10,11)/rA:26nCOCCCCCCSCNNCCNCCCNCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6d10;s10;s12;s13;s14;s15;s12s16;s15;d18;s19;s20;d21;s22;d23;d20s24;s18s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N4OS2
All Atoms:44
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:11.0913
Area:575.605
Solvation:-3.29881
Coulombic:-34.9385
Bond Count [?]
All:30
Single:22
Double:8
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.77
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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