ChemDB: Chemical Search
Download
Chemical ID: 7257088
Chemical ID:
7257088
Name [?]:
N-[2-(4-methoxyphenyl)ethyl]-2-[4-methyl-2,5-dioxo-3-(p-tolyl)imidazolidin-1-yl]-acetamide
SMILES [?]:
Cc1ccc(cc1)N2C(C(=O)N(C2=O)CC(=O)NCCc3ccc(cc3)OC)C
InChi [?]:
InChI=1/C22H25N3O4/c1-15-4-8-18(9-5-15)25-16(2)21(27)24(22(25)28)14-20(26)23-13-12-17-6-10-19(29-3)11-7-17/h4-11,16H,12-14H2,1-3H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,29,28,3,7,22,26,4,6,23,25,20,19,15,2,9,21,5,24,16,10,13,18,12,8,17,11,14,27/E:(4,5)(6,7)(8,9)(10,11)/rA:29cCCCCCCCNCCONCOCCONCCCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s8s12;d13;s12;s15;d16;s16;s18;s19;s20;s21;d22;s23;d24;d21s25;s24;s27;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H25N3O4 |
All Atoms: | 54 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.7667 |
Area: | 639.048 |
Solvation: | -5.20951 |
Coulombic: | -63.4492 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 395.452 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.45 |
LogP (Chemaxon): | 2.53 |
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 |
---|