Chemical ID: 6748674

COc1ccccc1C2C(C(=O)C(=O)N2)C(=O)c3ccc(cc3)Br
Chemical ID:
6748674
Name [?]:
4-(4-bromobenzoyl)-5-(2-methoxyphenyl)-pyrrolidine-2,3-dione
SMILES [?]:
COc1ccccc1C2C(C(=O)C(=O)N2)C(=O)c3ccc(cc3)Br
InChi [?]:
InChI=1/C18H14BrNO4/c1-24-13-5-3-2-4-12(13)15-14(17(22)18(23)20-15)16(21)10-6-8-11(19)9-7-10/h2-9,14-15H,1H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,19,23,20,22,18,21,8,3,10,9,16,11,13,24,15,17,12,14,2/E:(6,7)(8,9)/rA:24cCOCCCCCCCCCOCONCOCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;d13;s9s13;s10;d16;s16;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14BrNO4
All Atoms:38
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:8.64207
Area:523.919
Solvation:-4.45591
Coulombic:-46.8011
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:388.212
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.58
LogP (Chemaxon):3.28

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