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Chemical ID: 7303291
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
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Experimental Annotations
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Descriptor Annotations
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