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Chemical ID: 7684365
Chemical ID:
7684365
Name [?]:
None
SMILES [?]:
CCCCn1c2c(c(n1)C)c(cc(n2)C)C(=O)Nc3cc(n(n3)Cc4ccc(cc4)Br)C
InChi [?]:
InChI=1/C24H27BrN6O/c1-5-6-11-30-23-22(17(4)28-30)20(12-15(2)26-23)24(32)27-21-13-16(3)31(29-21)14-18-7-9-19(25)10-8-18/h7-10,12-13H,5-6,11,14H2,1-4H3,(H,27,29,32)
InChi Info:
AuxInfo=1/1/N:1,15,32,10,2,3,26,30,27,29,4,12,20,24,13,21,8,25,28,11,19,7,6,16,31,14,18,9,23,5,22,17/E:(7,8)(9,10)/rA:32nCCCCNCCCNCCCCNCCONCCCNNCCCCCCCBrC/rB:s1;s2;s3;s4;s5;s6;s7;s5d8;s8;d7;s11;d12;d6s13;s13;s11;d16;s16;s18;s19;d20;s21;d19s22;s22;s24;s25;d26;s27;d28;d25s29;s28;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27BrN6O |
All Atoms: | 59 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 14.1209 |
Area: | 705.565 |
Solvation: | -3.51823 |
Coulombic: | -36.7423 |
Bond Count [?]
All: | 35 |
Single: | 25 |
Double: | 10 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.85 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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