ChemDB: Chemical Search
Download
Chemical ID: 6800278
Chemical ID:
6800278
Name [?]:
N-[2-(4-chlorophenyl)ethyl]-2-[3-(o-tolylmethyl)-2-oxo-imidazolidin-1-yl]-acetamide
SMILES [?]:
Cc1ccccc1CN2CCN(C2=O)CC(=O)NCCc3ccc(cc3)Cl
InChi [?]:
InChI=1/C21H24ClN3O2/c1-16-4-2-3-5-18(16)14-24-12-13-25(21(24)27)15-20(26)23-11-10-17-6-8-19(22)9-7-17/h2-9H,10-15H2,1H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,22,26,23,25,20,19,10,11,8,15,2,21,7,24,16,13,27,18,9,12,17,14/E:(6,7)(8,9)/rA:27nCCCCCCCCNCCNCOCCONCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s9s12;d13;s12;s15;d16;s16;s18;s19;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24ClN3O2 |
All Atoms: | 51 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7004 |
Area: | 626.658 |
Solvation: | -3.96608 |
Coulombic: | -48.8349 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 385.887 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.23 |
LogP (Chemaxon): | 3.22 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|