Chemical ID: 4719603

c1ccc2c(c1)c3nnc(n3c(n2)N4CCOCC4)c5ccc(cc5)Br
Chemical ID:
4719603
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3nnc(n3c(n2)N4CCOCC4)c5ccc(cc5)Br
InChi [?]:
InChI=1/C19H16BrN5O/c20-14-7-5-13(6-8-14)17-22-23-18-15-3-1-2-4-16(15)21-19(25(17)18)24-9-11-26-12-10-24/h1-8H,9-12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,21,25,22,24,15,19,16,18,20,23,5,4,10,7,12,26,13,9,8,14,11,17/E:(5,6)(7,8)(9,10)(11,12)/rA:26nCCCCCCCNNCNCNNCCOCCCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s11;s4d12;s12;s14;s15;s16;s17;s14s18;s10;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16BrN5O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.1762
Area:518.578
Solvation:-2.78821
Coulombic:-35.1214
Bond Count [?]
All:30
Single:21
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:410.267
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.63
LogP (Chemaxon):4.04

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