Chemical ID: 5941606

Cc1ccccc1C(=O)Nc2cccc(c2)c3csc(n3)N4CCCCC4
Chemical ID:
5941606
Name [?]:
2-methyl-N-[3-[2-(1-piperidyl)thiazol-4-yl]phenyl]-benzamide
SMILES [?]:
Cc1ccccc1C(=O)Nc2cccc(c2)c3csc(n3)N4CCCCC4
InChi [?]:
InChI=1/C22H23N3OS/c1-16-8-3-4-11-19(16)21(26)23-18-10-7-9-17(14-18)20-15-27-22(24-20)25-12-5-2-6-13-25/h3-4,7-11,14-15H,2,5-6,12-13H2,1H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,25,4,5,24,26,13,3,14,12,6,23,27,16,18,2,15,11,7,17,8,20,10,21,22,9,19/E:(5,6)(12,13)/rA:27nCCCCCCCCONCCCCCCCCSCNNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;d17;s18;s19;s17d20;s20;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23N3OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.1201
Area:596.29
Solvation:-2.78711
Coulombic:-36.3895
Bond Count [?]
All:30
Single:21
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:377.504
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.34
LogP (Chemaxon):5.9

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