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Chemical ID: 5941589
Chemical ID:
5941589
Name [?]:
2-chloro-N-[3-[2-(1-piperidyl)thiazol-4-yl]phenyl]-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2cccc(c2)c3csc(n3)N4CCCCC4)Cl
InChi [?]:
InChI=1/C21H20ClN3OS/c22-18-10-3-2-9-17(18)20(26)23-16-8-6-7-15(13-16)19-14-27-21(24-19)25-11-4-1-5-12-25/h2-3,6-10,13-14H,1,4-5,11-12H2,(H,23,26)
InChi Info:
AuxInfo=1/1/N:24,1,2,23,25,12,13,11,6,3,22,26,15,17,14,10,5,4,16,7,19,27,9,20,21,8,18/E:(4,5)(11,12)/rA:27nCCCCCCCONCCCCCCCCSCNNCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;d16;s17;s18;s16d19;s19;s21;s22;s23;s24;s21s25;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20ClN3OS |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9918 |
Area: | 607.383 |
Solvation: | -3.1928 |
Coulombic: | -35.9017 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 397.922 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.52 |
LogP (Chemaxon): | 5.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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