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Chemical ID: 6575336
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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