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Chemical ID: 7668794
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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