Chemical ID: 7693897

CC(=O)C(C(=O)N(C)C)Sc1ccc2nnc(n2n1)c3ccc(cc3)F
Chemical ID:
7693897
Name [?]:
None
SMILES [?]:
CC(=O)C(C(=O)N(C)C)Sc1ccc2nnc(n2n1)c3ccc(cc3)F
InChi [?]:
InChI=1/C17H16FN5O2S/c1-10(24)15(17(25)22(2)3)26-14-9-8-13-19-20-16(23(13)21-14)11-4-6-12(18)7-5-11/h4-9,15H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,9,21,25,22,24,13,12,2,20,23,14,11,4,17,5,26,15,16,19,7,18,3,6,10/E:(2,3)(4,5)(6,7)/rA:26cCCOCCONCCSCCCCNNCNNCCCCCCF/rB:s1;d2;s2;s4;d5;s5;s7;s7;s4;s10;s11;d12;s13;d14;s15;d16;s14s17;d11s18;s17;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16FN5O2S
All Atoms:42
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:9.0295
Area:520.512
Solvation:-3.98331
Coulombic:-38.7634
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.07
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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