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Chemical ID: 7215058
Chemical ID:
7215058
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c(c2c3nc(nn3cnc2s1)c4cc(nn4C)C)C
InChi [?]:
InChI=1/C16H16N6O2S/c1-5-24-16(23)12-9(3)11-14-18-13(10-6-8(2)19-21(10)4)20-22(14)7-17-15(11)25-12/h6-7H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,25,23,2,19,14,20,7,18,8,6,11,9,16,4,15,10,21,12,22,13,5,3,17/rA:25nCCOCOCCCCNCNNCNCSCCCNNCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s9s12;s13;d14;d8s15;s6s16;s11;d18;s19;d20;s18s21;s22;s20;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16N6O2S |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9407 |
Area: | 560.45 |
Solvation: | -3.07058 |
Coulombic: | -41.1381 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 356.403 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.4 |
LogP (Chemaxon): | 1.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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