Chemical ID: 6006188

CCN(CC(=O)N1CC(=O)N(C1)c2ccc(cc2)Cl)C(=O)C3CCCCC3
Chemical ID:
6006188
Name [?]:
N-[[3-(4-chlorophenyl)-4-oxo-imidazolidin-1-yl]carbonylmethyl]-N-ethyl-cyclohexanecarboxamide
SMILES [?]:
CCN(CC(=O)N1CC(=O)N(C1)c2ccc(cc2)Cl)C(=O)C3CCCCC3
InChi [?]:
InChI=1/C20H26ClN3O3/c1-2-22(20(27)15-6-4-3-5-7-15)12-18(25)23-13-19(26)24(14-23)17-10-8-16(21)9-11-17/h8-11,15H,2-7,12-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,25,24,26,23,27,15,17,14,18,4,8,12,22,16,13,5,9,20,19,3,7,11,6,10,21/E:(4,5)(6,7)(8,9)(10,11)/rA:27nCCNCCONCCONCCCCCCCClCOCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s9;s7s11;s11;s13;d14;s15;d16;d13s17;s16;s3;d20;s20;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26ClN3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.6337
Area:608.083
Solvation:-4.56836
Coulombic:-48.6628
Bond Count [?]
All:29
Single:23
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:391.892
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.93
LogP (Chemaxon):2.41

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