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Chemical ID: 6006188
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
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Experimental Annotations
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Descriptor Annotations
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