Chemical ID: 7215274

CCn1ccc(n1)c2nc3c4c(c(sc4ncn3n2)C(=O)OCC)C
Chemical ID:
7215274
Name [?]:
None
SMILES [?]:
CCn1ccc(n1)c2nc3c4c(c(sc4ncn3n2)C(=O)OCC)C
InChi [?]:
InChI=1/C16H16N6O2S/c1-4-21-7-6-10(19-21)13-18-14-11-9(3)12(16(23)24-5-2)25-15(11)17-8-22(14)20-13/h6-8H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,25,2,23,5,4,17,12,6,11,13,8,10,15,20,16,9,7,19,3,18,21,22,14/rA:25nCCNCCCNCNCCCCSCNCNNCOOCCC/rB:s1;s2;s3;d4;s5;s3d6;s6;s8;d9;s10;s11;d12;s13;d11s14;s15;d16;s10s17;d8s18;s13;d20;s20;s22;s23;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16N6O2S
All Atoms:41
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.091
Area:564.994
Solvation:-3.03385
Coulombic:-41.6714
Bond Count [?]
All:28
Single:20
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:356.403
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.58
LogP (Chemaxon):2.74

Name Annotations

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Descriptor Annotations

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