Chemical ID: 7303291

CC(C)CCC1(C(=O)N(C(=O)N1)CCOc2ccc(cc2)Br)C
Chemical ID:
7303291
Name [?]:
3-[2-(4-bromophenoxy)ethyl]-5-isopentyl-5-methyl-imidazolidine-2,4-dione
SMILES [?]:
CC(C)CCC1(C(=O)N(C(=O)N1)CCOc2ccc(cc2)Br)C
InChi [?]:
InChI=1/C17H23BrN2O3/c1-12(2)8-9-17(3)15(21)20(16(22)19-17)10-11-23-14-6-4-13(18)5-7-14/h4-7,12H,8-11H2,1-3H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,3,23,18,20,17,21,4,5,13,14,2,19,16,7,10,6,22,12,9,8,11,15/E:(1,2)(4,5)(6,7)/rA:23cCCCCCCCONCONCCOCCCCCCBrC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;d10;s6s10;s9;s13;s14;s15;s16;d17;s18;d19;d16s20;s19;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H23BrN2O3
All Atoms:46
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:10.3468
Area:555.125
Solvation:-3.53136
Coulombic:-48.5646
Bond Count [?]
All:24
Single:19
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:383.28
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.99
LogP (Chemaxon):3.64

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue