ChemDB: Chemical Search
Download
Chemical ID: 6738867
Chemical ID:
6738867
Name [?]:
2-(3-benzyl-2-oxo-imidazolidin-1-yl)-N-(2-thienylmethyl)acetamide
SMILES [?]:
c1ccc(cc1)CN2CCN(C2=O)CC(=O)NCc3cccs3
InChi [?]:
InChI=1/C17H19N3O2S/c21-16(18-11-15-7-4-10-23-15)13-20-9-8-19(17(20)22)12-14-5-2-1-3-6-14/h1-7,10H,8-9,11-13H2,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,21,3,5,20,9,10,22,18,7,14,4,19,15,12,17,8,11,16,13,23/E:(2,3)(5,6)/rA:23nCCCCCCCNCCNCOCCONCCCCCS/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s8s11;d12;s11;s14;d15;s15;s17;s18;d19;s20;d21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19N3O2S |
All Atoms: | 42 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.77719 |
Area: | 549.342 |
Solvation: | -3.95636 |
Coulombic: | -48.1571 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 329.418 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.08 |
LogP (Chemaxon): | 1.4 |
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 |
---|