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Chemical ID: 7674490
Chemical ID:
7674490
Name [?]:
None
SMILES [?]:
Cn1c2c(c(cc(n2)C3CC3)C(=O)Nc4cnn(c4)Cc5ccccc5F)c(n1)C6CC6
InChi [?]:
InChI=1/C24H23FN6O/c1-30-23-21(22(29-30)15-8-9-15)18(10-20(28-23)14-6-7-14)24(32)27-17-11-26-31(13-17)12-16-4-2-3-5-19(16)25/h2-5,10-11,13-15H,6-9,12H2,1H3,(H,27,32)
InChi Info:
AuxInfo=1/1/N:1,23,24,22,25,10,11,31,32,6,16,20,19,9,30,21,15,5,26,7,4,28,3,12,27,17,14,8,29,2,18,13/E:(6,7)(8,9)/rA:32nCNCCCCCNCCCCONCCNNCCCCCCCCFCNCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s9s10;s5;d12;s12;s14;s15;d16;s17;d15s18;s18;s20;s21;d22;s23;d24;d21s25;s26;s4;s2d28;s28;s30;s30s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23FN6O |
All Atoms: | 55 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.1843 |
Area: | 653.698 |
Solvation: | -5.15812 |
Coulombic: | -38.8445 |
Bond Count [?]
All: | 37 |
Single: | 27 |
Double: | 10 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.04 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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