Chemical ID: 4647115

COc1ccc(cc1)c2nc3c4c5c(sc4ncn3n2)CCC5
Chemical ID:
4647115
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)c2nc3c4c5c(sc4ncn3n2)CCC5
InChi [?]:
InChI=1/C17H14N4OS/c1-22-11-7-5-10(6-8-11)15-19-16-14-12-3-2-4-13(12)23-17(14)18-9-21(16)20-15/h5-9H,2-4H2,1H3
InChi Info:
AuxInfo=1/0/N:1,22,23,21,5,7,4,8,18,6,3,13,14,12,9,11,16,17,10,20,19,2,15/E:(5,6)(7,8)/rA:23nCOCCCCCCCNCCCCSCNCNNCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;s12;d13;s14;d12s15;s16;d17;s11s18;d9s19;s14;s21;s13s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N4OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.96334
Area:504.791
Solvation:-2.65644
Coulombic:-25.9814
Bond Count [?]
All:27
Single:19
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:322.385
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.3
LogP (Chemaxon):3.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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