Chemical ID: 7165663

CCOC(=O)c1c(c2c3nc(nn3cnc2s1)c4ccncc4)C
Chemical ID:
7165663
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c(c2c3nc(nn3cnc2s1)c4ccncc4)C
InChi [?]:
InChI=1/C16H13N5O2S/c1-3-23-16(22)12-9(2)11-14-19-13(10-4-6-17-7-5-10)20-21(14)8-18-15(11)24-12/h4-8H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,2,19,23,20,22,14,7,18,8,6,11,9,16,4,21,15,10,12,13,5,3,17/E:(4,5)(6,7)/rA:24nCCOCOCCCCNCNNCNCSCCCNCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s9s12;s13;d14;d8s15;s6s16;s11;s18;d19;s20;d21;d18s22;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13N5O2S
All Atoms:37
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.5807
Area:535.766
Solvation:-2.81347
Coulombic:-41.5592
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:339.373
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.42
LogP (Chemaxon):2.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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