Chemical ID: 7215058

CCOC(=O)c1c(c2c3nc(nn3cnc2s1)c4cc(nn4C)C)C
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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