Chemical ID: 5830320

Cc1ccsc1CN2CCC(CC2)C(=O)N(CCN(C)C)Cc3ccccc3
Chemical ID:
5830320
Name [?]:
N-benzyl-N-(2-dimethylaminoethyl)-1-[(3-methyl-2-thienyl)methyl]piperidine-4-carboxamide
SMILES [?]:
Cc1ccsc1CN2CCC(CC2)C(=O)N(CCN(C)C)Cc3ccccc3
InChi [?]:
InChI=1/C23H33N3OS/c1-19-11-16-28-22(19)18-25-12-9-21(10-13-25)23(27)26(15-14-24(2)3)17-20-7-5-4-6-8-20/h4-8,11,16,21H,9-10,12-15,17-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,21,26,25,27,24,28,10,12,3,9,13,18,17,4,22,7,2,23,11,6,14,19,8,16,15,5/E:(2,3)(5,6)(7,8)(9,10)(12,13)/rA:28nCCCCSCCNCCCCCCONCCNCCCCCCCCC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;s17;s18;s19;s19;s16;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H33N3OS
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.6052
Area:635.429
Solvation:-3.28055
Coulombic:-28.2281
Bond Count [?]
All:30
Single:24
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:399.594
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.39
LogP (Chemaxon):3.25

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Descriptor Annotations

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