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Chemical ID: 7667042
Chemical ID:
7667042
Name [?]:
None
SMILES [?]:
Cc1ccnc(n1)SCC(=O)Nc2nc(cs2)C
InChi [?]:
InChI=1/C11H12N4OS2/c1-7-3-4-12-10(13-7)18-6-9(16)15-11-14-8(2)5-17-11/h3-5H,6H2,1-2H3,(H,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,18,3,4,16,9,2,15,10,6,13,5,7,14,12,11,17,8/rA:18nCCCCNCNSCCONCNCCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12N4OS2 |
All Atoms: | 30 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.30956 |
Area: | 468.219 |
Solvation: | -3.3959 |
Coulombic: | -35.0872 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.47 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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