Chemical ID: 6439494

Cc1ccc(cc1)C2=NN3C(C2)c4cc(ccc4OC3c5ccc(cc5)OC)Br
Chemical ID:
6439494
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2=NN3C(C2)c4cc(ccc4OC3c5ccc(cc5)OC)Br
InChi [?]:
InChI=1/C24H21BrN2O2/c1-15-3-5-16(6-4-15)21-14-22-20-13-18(25)9-12-23(20)29-24(27(22)26-21)17-7-10-19(28-2)11-8-17/h3-13,22,24H,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,3,7,4,6,22,26,16,23,25,17,14,12,2,5,21,15,24,13,8,11,18,20,29,9,10,27,19/E:(3,4)(5,6)(7,8)(10,11)/rA:29cCCCCCCCCNNCCCCCCCCOCCCCCCCOCBr/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8s11;s11;s13;d14;s15;d16;d13s17;s18;s10s19;s20;s21;d22;s23;d24;d21s25;s24;s27;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H21BrN2O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:3
ZAP Information [?]
Total:10.728
Area:609.365
Solvation:-4.50612
Coulombic:-23.0885
Bond Count [?]
All:33
Single:23
Double:10
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:449.34
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.56
LogP (Chemaxon):6.07

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Descriptor Annotations

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