Chemical ID: 5807864

Cn1c2ccccc2c3c1nc(nn3)SCC(=O)Nc4cccc(c4)F
Chemical ID:
5807864
Name [?]:
None
SMILES [?]:
Cn1c2ccccc2c3c1nc(nn3)SCC(=O)Nc4cccc(c4)F
InChi [?]:
InChI=1/C18H14FN5OS/c1-24-14-8-3-2-7-13(14)16-17(24)21-18(23-22-16)26-10-15(25)20-12-6-4-5-11(19)9-12/h2-9H,10H2,1H3,(H,20,25)
InChi Info:
AuxInfo=1/1/N:1,6,5,22,23,21,7,4,25,16,24,20,8,3,17,9,10,12,26,19,11,14,13,2,18,15/rA:26nCNCCCCCCCCNCNNSCCONCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;d10;s11;d12;d9s13;s12;s15;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14FN5OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.2913
Area:560.392
Solvation:-3.7185
Coulombic:-42.5961
Bond Count [?]
All:29
Single:19
Double:10
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:367.401
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.48
LogP (Chemaxon):3.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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