Chemical ID: 5829635

Cc1ccsc1CN2CCC(CC2)C(=O)N(C)CCc3ccc(c(c3)OC)OC
Chemical ID:
5829635
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-[(3-methyl-2-thienyl)methyl]piperidine-4-carboxamide
SMILES [?]:
Cc1ccsc1CN2CCC(CC2)C(=O)N(C)CCc3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C23H32N2O3S/c1-17-10-14-29-22(17)16-25-12-8-19(9-13-25)23(26)24(2)11-7-18-5-6-20(27-3)21(15-18)28-4/h5-6,10,14-15,19H,7-9,11-13,16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,17,29,27,21,22,19,10,12,3,18,9,13,4,25,7,2,20,11,23,24,6,14,16,8,15,28,26,5/E:(8,9)(12,13)/rA:29nCCCCSCCNCCCCCCONCCCCCCCCCOCOC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;s16;s18;s19;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H32N2O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.3454
Area:666.279
Solvation:-6.31158
Coulombic:-35.8232
Bond Count [?]
All:31
Single:25
Double:6
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:416.578
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.26
LogP (Chemaxon):3.02

Name Annotations

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Descriptor Annotations

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