ChemDB: Chemical Search
Download
Chemical ID: 6621759
Chemical ID:
6621759
Name [?]:
N-[4-(methoxymethyl)-1-[2-(2-thienyl)ethyl]-4-piperidyl]-N-phenyl-propanamide
SMILES [?]:
CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCc3cccs3)COC
InChi [?]:
InChI=1/C22H30N2O2S/c1-3-21(25)24(19-8-5-4-6-9-19)22(18-26-2)12-15-23(16-13-22)14-11-20-10-7-17-27-20/h4-10,17H,3,11-16,18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,2,9,8,10,22,7,11,21,19,13,17,18,14,16,23,25,6,20,3,12,15,5,4,26,24/E:(5,6)(8,9)(12,13)(15,16)/rA:27nCCCONCCCCCCCCCNCCCCCCCCSCOC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s5;s12;s13;s14;s15;s12s16;s15;s18;s19;d20;s21;d22;s20s23;s12;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H30N2O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.295 |
Area: | 586.688 |
Solvation: | -3.37225 |
Coulombic: | -30.6032 |
Bond Count [?]
All: | 29 |
Single: | 23 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 386.552 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.8 |
LogP (Chemaxon): | 2.56 |
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 |
---|