Chemical ID: 4651430

Cc1ccc(cc1)C2N3C(CC(=N3)c4ccc(cc4)OC(C)C)c5cc(ccc5O2)Br
Chemical ID:
4651430
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2N3C(CC(=N3)c4ccc(cc4)OC(C)C)c5cc(ccc5O2)Br
InChi [?]:
InChI=1/C26H25BrN2O2/c1-16(2)30-21-11-8-18(9-12-21)23-15-24-22-14-20(27)10-13-25(22)31-26(29(24)28-23)19-6-4-17(3)5-7-19/h4-14,16,24,26H,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:22,23,1,3,7,4,6,15,19,27,16,18,28,25,11,21,2,14,5,26,17,24,12,10,29,8,31,13,9,20,30/E:(1,2)(4,5)(6,7)(8,9)(11,12)/rA:31cCCCCCCCCNCCCNCCCCCCOCCCCCCCCCOBr/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s9d12;s12;s14;d15;s16;d17;d14s18;s17;s20;s21;s21;s10;s24;d25;s26;d27;d24s28;s8s29;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H25BrN2O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:3
ZAP Information [?]
Total:12.1873
Area:658.1
Solvation:-4.26525
Coulombic:-23.6975
Bond Count [?]
All:35
Single:25
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:477.393
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:7.44
LogP (Chemaxon):6.82

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Descriptor Annotations

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