Chemical ID: 7214789

CCOC(=O)c1c(c2c3nc(nn3cnc2s1)c4cc([nH]n4)C)C
Chemical ID:
7214789
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c(c2c3nc(nn3cnc2s1)c4cc([nH]n4)C)C
InChi [?]:
InChI=1/C15H14N6O2S/c1-4-23-15(22)11-8(3)10-13-17-12(9-5-7(2)18-19-9)20-21(13)6-16-14(10)24-11/h5-6H,4H2,1-3H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,23,24,2,19,14,20,7,18,8,6,11,9,16,4,15,10,21,22,12,13,5,3,17/rA:24nCCOCOCCCCNCNNCNCSCCCNNCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s9s12;s13;d14;d8s15;s6s16;s11;s18;d19;s20;d18s21;s20;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14N6O2S
All Atoms:38
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.6047
Area:540.188
Solvation:-2.89996
Coulombic:-46.5299
Bond Count [?]
All:27
Single:19
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:342.377
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.59
LogP (Chemaxon):2.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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