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Chemical ID: 7309774
Chemical ID:
7309774
Name [?]:
N-(3-chlorophenyl)-2-(4-hexyl-4-methyl-2,5-dioxo-imidazolidin-1-yl)-acetamide
SMILES [?]:
CCCCCCC1(C(=O)N(C(=O)N1)CC(=O)Nc2cccc(c2)Cl)C
InChi [?]:
InChI=1/C18H24ClN3O3/c1-3-4-5-6-10-18(2)16(24)22(17(25)21-18)12-15(23)20-14-9-7-8-13(19)11-14/h7-9,11H,3-6,10,12H2,1-2H3,(H,20,23)(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,25,2,3,4,5,20,21,19,6,23,14,22,18,15,8,11,7,24,17,13,10,16,9,12/rA:25cCCCCCCCCONCONCCONCCCCCCClC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s7s11;s10;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H24ClN3O3 |
All Atoms: | 49 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.6473 |
Area: | 605.558 |
Solvation: | -3.49169 |
Coulombic: | -61.514 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 365.854 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.45 |
LogP (Chemaxon): | 3.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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