Chemical ID: 6695173

c1ccc2c(c1)c3c([nH]2)nc(nn3)SCC(=O)Nc4cccc(c4)F
Chemical ID:
6695173
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)nc(nn3)SCC(=O)Nc4cccc(c4)F
InChi [?]:
InChI=1/C17H12FN5OS/c18-10-4-3-5-11(8-10)19-14(24)9-25-17-21-16-15(22-23-17)12-6-1-2-7-13(12)20-16/h1-8H,9H2,(H,19,24)(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,21,22,20,6,3,24,15,23,19,5,4,16,7,8,11,25,18,9,10,13,12,17,14/rA:25nCCCCCCCCNNCNNSCCONCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;d8;s10;d11;d7s12;s11;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12FN5OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.97678
Area:544.584
Solvation:-3.63781
Coulombic:-47.2628
Bond Count [?]
All:28
Single:18
Double:10
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:353.375
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.17
LogP (Chemaxon):3.44

Name Annotations

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Descriptor Annotations

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