Chemical ID: 7684365

CCCCn1c2c(c(n1)C)c(cc(n2)C)C(=O)Nc3cc(n(n3)Cc4ccc(cc4)Br)C
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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