ChemDB: Chemical Search
Download
Chemical ID: 5920371
Chemical ID:
5920371
Name [?]:
N-[[3-(4-chlorophenyl)-4-oxo-imidazolidin-1-yl]carbonylmethyl]-N,2-dimethyl-butanamide
SMILES [?]:
CCC(C)C(=O)N(C)CC(=O)N1CC(=O)N(C1)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C17H22ClN3O3/c1-4-12(2)17(24)19(3)9-15(22)20-10-16(23)21(11-20)14-7-5-13(18)6-8-14/h5-8,12H,4,9-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,4,8,2,20,22,19,23,9,13,17,3,21,18,10,14,5,24,7,12,16,11,15,6/E:(5,6)(7,8)/rA:24cCCCCCONCCCONCCONCCCCCCCCl/rB:s1;s2;s3;s3;d5;s5;s7;s7;s9;d10;s10;s12;s13;d14;s14;s12s16;s16;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22ClN3O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.88435 |
Area: | 569.006 |
Solvation: | -4.34079 |
Coulombic: | -48.6796 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 351.828 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 1.71 |
LogP (Chemaxon): | 1.78 |
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 |
---|