Chemical ID: 5830170

CCN(Cc1ccccc1)C(=O)C2CCN(CC2)Cc3ccc(cc3)SC
Chemical ID:
5830170
Name [?]:
N-benzyl-N-ethyl-1-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide
SMILES [?]:
CCN(Cc1ccccc1)C(=O)C2CCN(CC2)Cc3ccc(cc3)SC
InChi [?]:
InChI=1/C23H30N2OS/c1-3-25(18-19-7-5-4-6-8-19)23(26)21-13-15-24(16-14-21)17-20-9-11-22(27-2)12-10-20/h4-12,21H,3,13-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,2,8,7,9,6,10,21,25,22,24,14,18,15,17,19,4,5,20,13,23,11,16,3,12,26/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:27nCCNCCCCCCCCOCCCNCCCCCCCCCSC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3;d11;s11;s13;s14;s15;s16;s13s17;s16;s19;s20;d21;s22;d23;d20s24;s23;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H30N2OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.4754
Area:623.566
Solvation:-3.11375
Coulombic:-24.2765
Bond Count [?]
All:29
Single:22
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:382.563
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.5
LogP (Chemaxon):4.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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