Chemical ID: 7706966

CC(C(=O)Nc1nnc(s1)c2ccc(cc2)F)Sc3ccccc3
Chemical ID:
7706966
Name [?]:
None
SMILES [?]:
CC(C(=O)Nc1nnc(s1)c2ccc(cc2)F)Sc3ccccc3
InChi [?]:
InChI=1/C17H14FN3OS2/c1-11(23-14-5-3-2-4-6-14)15(22)19-17-21-20-16(24-17)12-7-9-13(18)10-8-12/h2-11H,1H3,(H,19,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,21,23,20,24,12,16,13,15,2,11,14,19,3,9,6,17,5,8,7,4,18,10/E:(3,4)(5,6)(7,8)(9,10)/rA:24cCCCONCNNCSCCCCCCFSCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s6s9;s9;s11;d12;s13;d14;d11s15;s14;s2;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14FN3OS2
All Atoms:38
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:9.47058
Area:554.679
Solvation:-4.39639
Coulombic:-30.7287
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.88
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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