Chemical ID: 5641902

COc1ccc(cc1C2=NC(=Cc3ccc(cc3)Br)C(=O)O2)Br
Chemical ID:
5641902
Name [?]:
2-(5-bromo-2-methoxy-phenyl)-4-[(4-bromophenyl)methylene]oxazol-5-one
SMILES [?]:
COc1ccc(cc1C2=NC(=Cc3ccc(cc3)Br)C(=O)O2)Br
InChi [?]:
InChI=1/C17H11Br2NO3/c1-22-15-7-6-12(19)9-13(15)16-20-14(17(21)23-16)8-10-2-4-11(18)5-3-10/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,14,18,15,17,5,4,12,7,13,16,6,8,11,3,9,20,19,23,10,21,2,22/E:(2,3)(4,5)/rA:23nCOCCCCCCCNCCCCCCCCBrCOOBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s10;w11;s12;s13;d14;s15;d16;d13s17;s16;s11;d20;s9s20;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11Br2NO3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.2218
Area:517.751
Solvation:-2.72202
Coulombic:-35.5446
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:437.082
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.29
LogP (Chemaxon):4.99

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