Chemical ID: 7668778

Cc1cc(c2c(c1)nc(s2)N3CCN(CC3)c4nc5cc(cc(c5s4)C)C)C
Chemical ID:
7668778
Name [?]:
None
SMILES [?]:
Cc1cc(c2c(c1)nc(s2)N3CCN(CC3)c4nc5cc(cc(c5s4)C)C)C
InChi [?]:
InChI=1/C22H24N4S2/c1-13-9-15(3)19-17(11-13)23-21(27-19)25-5-7-26(8-6-25)22-24-18-12-14(2)10-16(4)20(18)28-22/h9-12H,5-8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,27,28,26,12,16,13,15,3,22,7,20,2,21,4,23,6,19,5,24,9,17,8,18,11,14,10,25/E:(1,2)(3,4)(5,6,7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)/rA:28nCCCCCCCNCSNCCNCCCNCCCCCCSCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s9;s11;s12;s13;s14;s11s15;s14;d17;s18;s19;d20;s21;d22;d19s23;s17s24;s23;s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24N4S2
All Atoms:52
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:13.5781
Area:619.619
Solvation:-1.91243
Coulombic:-28.4899
Bond Count [?]
All:32
Single:24
Double:8
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:5.19
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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