Chemical ID: 4781726

Cc1c(c(on1)C)C(=O)n2cc3c(n2)-c4cc(ccc4SC3)F
Chemical ID:
4781726
Name [?]:
None
SMILES [?]:
Cc1c(c(on1)C)C(=O)n2cc3c(n2)-c4cc(ccc4SC3)F
InChi [?]:
InChI=1/C16H12FN3O2S/c1-8-14(9(2)22-19-8)16(21)20-6-10-7-23-13-4-3-11(17)5-12(13)15(10)18-20/h3-6H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,18,19,16,11,22,2,4,12,17,15,20,3,13,8,23,14,6,10,9,5,21/rA:23nCCCCONCCONCCCNCCCCCCSCF/rB:s1;s2;d3;s4;d2s5;s4;s3;d8;s8;s10;d11;s12;s10d13;s13;s15;d16;s17;d18;d15s19;s20;s12s21;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12FN3O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.7057
Area:497.042
Solvation:-3.72036
Coulombic:-21.9805
Bond Count [?]
All:26
Single:18
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:329.35
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.2
LogP (Chemaxon):2.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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