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Chemical ID: 6809701
Chemical ID:
6809701
Name [?]:
2-[3-[(3-chlorophenyl)methyl]-2-oxo-imidazolidin-1-yl]-N-[2-(m-tolyl)ethyl]acetamide
SMILES [?]:
Cc1cccc(c1)CCNC(=O)CN2CCN(C2=O)Cc3cccc(c3)Cl
InChi [?]:
InChI=1/C21H24ClN3O2/c1-16-4-2-5-17(12-16)8-9-23-20(26)15-25-11-10-24(21(25)27)14-18-6-3-7-19(22)13-18/h2-7,12-13H,8-11,14-15H2,1H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,4,23,3,5,22,24,8,9,16,15,7,26,20,13,2,6,21,25,11,18,27,10,17,14,12,19/rA:27nCCCCCCCCCNCOCNCCNCOCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s11;s13;s14;s15;s16;s14s17;d18;s17;s20;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24ClN3O2 |
All Atoms: | 51 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8034 |
Area: | 633.101 |
Solvation: | -4.0241 |
Coulombic: | -48.717 |
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
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Experimental Annotations
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Descriptor Annotations
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