Chemical ID: 6575336

c1ccc(cc1)c2cc3ccccn3c2C(=O)C(=O)Nc4cccc(c4)Br
Chemical ID:
6575336
Name [?]:
N-(3-bromophenyl)-2-oxo-2-(2-phenylindolizin-3-yl)-acetamide
SMILES [?]:
c1ccc(cc1)c2cc3ccccn3c2C(=O)C(=O)Nc4cccc(c4)Br
InChi [?]:
InChI=1/C22H15BrN2O2/c23-16-9-6-10-17(13-16)24-22(27)21(26)20-19(15-7-2-1-3-8-15)14-18-11-4-5-12-25(18)20/h1-14H,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,11,12,23,3,5,24,22,10,13,26,8,4,25,21,9,7,15,16,18,27,20,14,17,19/E:(2,3)(7,8)/rA:27nCCCCCCCCCCCCCNCCOCONCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s11;d12;s9s13;d7s14;s15;d16;s16;d18;s18;s20;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H15BrN2O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.0504
Area:577.955
Solvation:-2.39846
Coulombic:-40.9849
Bond Count [?]
All:30
Single:18
Double:12
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:419.271
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.79
LogP (Chemaxon):5.58

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