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Chemical ID: 6006192
Chemical ID:
6006192
Name [?]:
N-[[3-(4-chlorophenyl)-4-oxo-imidazolidin-1-yl]carbonylmethyl]-N-ethyl-hexanamide
SMILES [?]:
CCCCCC(=O)N(CC)CC(=O)N1CC(=O)N(C1)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C19H26ClN3O3/c1-3-5-6-7-17(24)21(4-2)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:1,10,2,9,3,4,5,22,24,21,25,11,15,19,23,20,6,12,16,26,8,14,18,7,13,17/E:(8,9)(10,11)/rA:26nCCCCCCONCCCCONCCONCCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s8;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: | 11.4522 |
Area: | 631.365 |
Solvation: | -4.33189 |
Coulombic: | -48.959 |
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: | 2.98 |
LogP (Chemaxon): | 2.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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