ChemDB: Chemical Search
Download
Chemical ID: 5908271
Chemical ID:
5908271
Name [?]:
N-butyl-N-[[3-(3-chlorophenyl)-4-oxo-imidazolidin-1-yl]carbonylmethyl]pentanamide
SMILES [?]:
CCCCC(=O)N(CCCC)CC(=O)N1CC(=O)N(C1)c2cccc(c2)Cl
InChi [?]:
InChI=1/C20H28ClN3O3/c1-3-5-10-18(25)22(11-6-4-2)13-19(26)23-14-20(27)24(15-23)17-9-7-8-16(21)12-17/h7-9,12H,3-6,10-11,13-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,10,3,9,23,24,22,4,8,26,12,16,20,25,21,5,13,17,27,7,15,19,6,14,18/rA:27nCCCCCONCCCCCCONCCONCCCCCCCCl/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s7;s12;d13;s13;s15;s16;d17;s17;s15s19;s19;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H28ClN3O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1264 |
Area: | 658.093 |
Solvation: | -4.32595 |
Coulombic: | -49.4198 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 393.907 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.34 |
LogP (Chemaxon): | 2.82 |
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 |
---|