Chemical ID: 5624251

Cc1c(c(c(c(c1C)C)CN2c3ccc(cc3C(=O)C2=O)Br)C)C
Chemical ID:
5624251
Name [?]:
5-bromo-1-[(2,3,4,5,6-pentamethylphenyl)methyl]indoline-2,3-dione
SMILES [?]:
Cc1c(c(c(c(c1C)C)CN2c3ccc(cc3C(=O)C2=O)Br)C)C
InChi [?]:
InChI=1/C20H20BrNO2/c1-10-11(2)13(4)17(14(5)12(10)3)9-22-18-7-6-15(21)8-16(18)19(23)20(22)24/h6-8H,9H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,8,24,9,23,14,13,16,10,2,7,3,6,4,15,17,5,12,18,20,22,11,19,21/E:(2,3)(4,5)(11,12)(13,14)/rA:24nCCCCCCCCCCNCCCCCCCOCOBrCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s5;s10;s11;s12;d13;s14;d15;d12s16;s17;d18;s11s18;d20;s15;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20BrNO2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.2419
Area:505.115
Solvation:-2.38594
Coulombic:-27.7592
Bond Count [?]
All:26
Single:18
Double:8
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:386.282
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.42
LogP (Chemaxon):5.79

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