Chemical ID: 7246922

c1cc(sc1)CNC(=O)C2CCCN(C2)C(=O)c3ccc(cc3)Cl
Chemical ID:
7246922
Name [?]:
1-(4-chlorobenzoyl)-N-(2-thienylmethyl)piperidine-3-carboxamide
SMILES [?]:
c1cc(sc1)CNC(=O)C2CCCN(C2)C(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H19ClN2O2S/c19-15-7-5-13(6-8-15)18(23)21-9-1-3-14(12-21)17(22)20-11-16-4-2-10-24-16/h2,4-8,10,14H,1,3,9,11-12H2,(H,20,22)
InChi Info:
AuxInfo=1/1/N:12,1,11,2,19,23,20,22,13,5,6,15,18,10,21,3,8,16,24,7,14,9,17,4/E:(5,6)(7,8)/rA:24cCCCSCCNCOCCCCNCCOCCCCCCCl/rB:s1;d2;s3;d1s4;s3;s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s14;d16;s16;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19ClN2O2S
All Atoms:43
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:10.8457
Area:555.615
Solvation:-3.0447
Coulombic:-40.0924
Bond Count [?]
All:26
Single:19
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:362.874
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.67
LogP (Chemaxon):2.48

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