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Chemical ID: 6472745
Chemical ID:
6472745
Name [?]:
None
SMILES [?]:
C1CN=C2N(C1)c3c(c(=O)[nH]c(=O)[nH]3)S2
InChi [?]:
InChI=1/C8H8N4O2S/c13-6-4-5(10-7(14)11-6)12-3-1-2-9-8(12)15-4/h1-3H2,(H2,10,11,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,7,9,12,4,3,14,11,5,10,13,15/rA:15nCCNCNCCCCONCONS/rB:s1;s2;d3;s4;s1s5;s5;d7;s8;d9;s9;s11;d12;s7s12;s4s8;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H8N4O2S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.28766 |
Area: | 358.053 |
Solvation: | -2.66367 |
Coulombic: | -54.0568 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 224.241 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 0.04 |
LogP (Chemaxon): | 0.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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