Chemical ID: 7746171

CC(=O)N1C(CC(=N1)c2cccs2)c3ccc4c(c3)nccn4
Chemical ID:
7746171
Name [?]:
None
SMILES [?]:
CC(=O)N1C(CC(=N1)c2cccs2)c3ccc4c(c3)nccn4
InChi [?]:
InChI=1/C17H14N4OS/c1-11(22)21-16(10-15(20-21)17-3-2-8-23-17)12-4-5-13-14(9-12)19-7-6-18-13/h2-9,16H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,15,16,22,21,12,19,6,2,14,17,18,7,5,9,23,20,8,4,3,13/rA:23cCCONCCCNCCCCSCCCCCCNCCN/rB:s1;d2;s2;s4;s5;s6;s4d7;s7;d9;s10;d11;s9s12;s5;s14;d15;s16;s17;d14s18;d18;s20;d21;d17s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N4OS
All Atoms:37
Heavy Atoms:23
Chiral Atoms:None
ZAP Information [?]
Total:9.64962
Area:516.165
Solvation:-3.2545
Coulombic:-24.9854
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.2
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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