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Chemical ID: 7693897
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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