Chemical ID: 5472695

Cc1cccc(c1)NC(=O)NC2CCCCC2NC(=O)Nc3cccc(c3)C
Chemical ID:
5472695
Name [?]:
1-(m-tolyl)-3-[2-(m-tolylcarbamoylamino)cyclohexyl]-urea
SMILES [?]:
Cc1cccc(c1)NC(=O)NC2CCCCC2NC(=O)Nc3cccc(c3)C
InChi [?]:
InChI=1/C22H28N4O2/c1-15-7-5-9-17(13-15)23-21(27)25-19-11-3-4-12-20(19)26-22(28)24-18-10-6-8-16(2)14-18/h5-10,13-14,19-20H,3-4,11-12H2,1-2H3,(H2,23,25,27)(H2,24,26,28)
InChi Info:
AuxInfo=1/1/N:1,28,14,15,4,24,3,25,5,23,13,16,7,27,2,26,6,22,12,17,9,19,8,21,11,18,10,20/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)/gE:(1,2)/rA:28cCCCCCCCNCONCCCCCCNCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H28N4O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:12.6989
Area:624.668
Solvation:-2.91783
Coulombic:-70.8314
Bond Count [?]
All:30
Single:22
Double:8
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:380.483
H-Bond Donors:4
H-Bond Acceptors:6
XLogP:3.79
LogP (Chemaxon):4.71

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