Chemical ID: 4492473

Cc1ccc(cc1)CN2C(c3c(=O)c4cc(ccc4oc3C2=O)C)c5cccc(c5)Br
Chemical ID:
4492473
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)CN2C(c3c(=O)c4cc(ccc4oc3C2=O)C)c5cccc(c5)Br
InChi [?]:
InChI=1/C26H20BrNO3/c1-15-6-9-17(10-7-15)14-28-23(18-4-3-5-19(27)13-18)22-24(29)20-12-16(2)8-11-21(20)31-25(22)26(28)30/h3-13,23H,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,27,26,28,3,7,17,4,6,18,15,30,8,2,16,5,25,29,14,19,11,10,12,21,22,31,9,13,23,20/E:(6,7)(9,10)/rA:31cCCCCCCCCNCCCOCCCCCCOCCOCCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s9s21;d22;s16;s10;s25;d26;s27;d28;d25s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H20BrNO3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.8575
Area:596.102
Solvation:-3.04505
Coulombic:-37.6044
Bond Count [?]
All:35
Single:23
Double:12
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:474.346
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.8
LogP (Chemaxon):6.16

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue