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Chemical ID: 7674164
Chemical ID:
7674164
Name [?]:
None
SMILES [?]:
Cn1c2c(c(cc(n2)C3CC3)C(=O)Nc4ccn(n4)Cc5ccc(cc5)Br)c(n1)C6CC6
InChi [?]:
InChI=1/C24H23BrN6O/c1-30-23-21(22(29-30)16-6-7-16)18(12-19(26-23)15-4-5-15)24(32)27-20-10-11-31(28-20)13-14-2-8-17(25)9-3-14/h2-3,8-12,15-16H,4-7,13H2,1H3,(H,27,28,32)
InChi Info:
AuxInfo=1/1/N:1,22,26,10,11,31,32,23,25,16,17,6,20,21,9,30,24,5,7,15,4,28,3,12,27,8,14,19,29,2,18,13/E:(2,3)(4,5)(6,7)(8,9)/rA:32nCNCCCCCNCCCCONCCCNNCCCCCCCBrCNCCC/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;s24;s4;s2d28;s28;s30;s30s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23BrN6O |
All Atoms: | 55 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.4274 |
Area: | 680.875 |
Solvation: | -3.59446 |
Coulombic: | -36.6873 |
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: | 4.68 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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