Chemical ID: 4408606

CSc1cccc(c1)NC(=O)C2CCN(CC2)C(=O)c3ccc(cc3)F
Chemical ID:
4408606
Name [?]:
1-(4-fluorobenzoyl)-N-(3-methylsulfanylphenyl)-piperidine-4-carboxamide
SMILES [?]:
CSc1cccc(c1)NC(=O)C2CCN(CC2)C(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C20H21FN2O2S/c1-26-18-4-2-3-17(13-18)22-19(24)14-9-11-23(12-10-14)20(25)15-5-7-16(21)8-6-15/h2-8,13-14H,9-12H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,21,25,22,24,13,17,14,16,8,12,20,23,7,3,10,18,26,9,15,11,19,2/E:(5,6)(7,8)(9,10)(11,12)/rA:26nCSCCCCCCNCOCCCNCCCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21FN2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.2488
Area:578.257
Solvation:-4.20759
Coulombic:-42.2474
Bond Count [?]
All:28
Single:20
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:372.457
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.74
LogP (Chemaxon):3.58

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Descriptor Annotations

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