Chemical ID: 7729433

c1cc(ccc1n2c3c(c(=O)n(cn3)CCN4CCCCC4)nn2)Br
Chemical ID:
7729433
Name [?]:
None
SMILES [?]:
c1cc(ccc1n2c3c(c(=O)n(cn3)CCN4CCCCC4)nn2)Br
InChi [?]:
InChI=1/C17H19BrN6O/c18-13-4-6-14(7-5-13)24-16-15(20-21-24)17(25)23(12-19-16)11-10-22-8-2-1-3-9-22/h4-7,12H,1-3,8-11H2
InChi Info:
AuxInfo=1/0/N:20,19,21,2,4,1,5,18,22,16,15,13,3,6,9,8,10,25,14,23,24,17,12,7,11/E:(2,3)(4,5)(6,7)(8,9)/rA:25nCCCCCCNCCCONCNCCNCCCCCNNBr/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;s10;s12;s8d13;s12;s15;s16;s17;s18;s19;s20;s17s21;s9;s7d23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19BrN6O
All Atoms:44
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:11.6697
Area:556.396
Solvation:-2.24016
Coulombic:-33.9129
Bond Count [?]
All:28
Single:21
Double:7
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.98
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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