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Chemical ID: 6006213
Chemical ID:
6006213
Name [?]:
N-[[3-(4-chlorophenyl)-4-oxo-imidazolidin-1-yl]carbonylmethyl]-N-ethyl-3-methyl-butanamide
SMILES [?]:
CCN(CC(=O)N1CC(=O)N(C1)c2ccc(cc2)Cl)C(=O)CC(C)C
InChi [?]:
InChI=1/C18H24ClN3O3/c1-4-20(16(23)9-13(2)3)10-17(24)21-11-18(25)22(12-21)15-7-5-14(19)6-8-15/h5-8,13H,4,9-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,25,2,15,17,14,18,22,4,8,12,23,16,13,20,5,9,19,3,7,11,21,6,10/E:(2,3)(5,6)(7,8)/rA:25nCCNCCONCCONCCCCCCCClCOCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s9;s7s11;s11;s13;d14;s15;d16;d13s17;s16;s3;d20;s20;s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H24ClN3O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5806 |
Area: | 594.642 |
Solvation: | -4.28547 |
Coulombic: | -48.659 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 365.854 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.35 |
LogP (Chemaxon): | 1.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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