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Chemical ID: 7678399
Chemical ID:
7678399
Name [?]:
None
SMILES [?]:
c1cc(ccc1n2c3c(c(=O)n(cn3)CC(=O)NC4CCCC4)nn2)F
InChi [?]:
InChI=1/C17H17FN6O2/c18-11-5-7-13(8-6-11)24-16-15(21-22-24)17(26)23(10-19-16)9-14(25)20-12-3-1-2-4-12/h5-8,10,12H,1-4,9H2,(H,20,25)
InChi Info:
AuxInfo=1/1/N:21,22,20,23,2,4,1,5,15,13,3,19,6,16,9,8,10,26,14,18,24,25,12,7,17,11/E:(1,2)(3,4)(5,6)(7,8)/rA:26nCCCCCCNCCCONCNCCONCCCCCNNF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;s10;s12;s8d13;s12;s15;d16;s16;s18;s19;s20;s21;s19s22;s9;s7d24;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17FN6O2 |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.3518 |
Area: | 550.661 |
Solvation: | -4.41472 |
Coulombic: | -51.7357 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.06 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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