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Chemical ID: 6006167
Chemical ID:
6006167
Name [?]:
N-[[3-(4-chlorophenyl)-4-oxo-imidazolidin-1-yl]carbonylmethyl]-N-methyl-heptanamide
SMILES [?]:
CCCCCCC(=O)N(C)CC(=O)N1CC(=O)N(C1)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C19H26ClN3O3/c1-3-4-5-6-7-17(24)21(2)12-18(25)22-13-19(26)23(14-22)16-10-8-15(20)9-11-16/h8-11H,3-7,12-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,2,3,4,5,6,22,24,21,25,11,15,19,23,20,7,12,16,26,9,14,18,8,13,17/E:(8,9)(10,11)/rA:26nCCCCCCCONCCCONCCONCCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s9;s11;d12;s12;s14;s15;d16;s16;s14s18;s18;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H26ClN3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5411 |
Area: | 635.851 |
Solvation: | -4.35513 |
Coulombic: | -48.9851 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 379.881 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.12 |
LogP (Chemaxon): | 2.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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