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Chemical ID: 7668569
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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