Chemical ID: 6621759

CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCc3cccs3)COC
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue