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Chemical ID: 7706966
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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