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Chemical ID: 5941606
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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