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Chemical ID: 6158853
Chemical ID:
6158853
Name [?]:
N-(5-ethyl-4-phenyl-thiazol-2-yl)-4-tert-butyl-benzamide
SMILES [?]:
CCc1c(nc(s1)NC(=O)c2ccc(cc2)C(C)(C)C)c3ccccc3
InChi [?]:
InChI=1/C22H24N2OS/c1-5-18-19(15-9-7-6-8-10-15)23-21(26-18)24-20(25)16-11-13-17(14-12-16)22(2,3)4/h6-14H,5H2,1-4H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,18,19,20,2,24,23,25,22,26,12,16,13,15,21,11,14,3,4,9,6,17,5,8,10,7/E:(2,3,4)(7,8)(9,10)(11,12)(13,14)/rA:26nCCCCNCSNCOCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s17;s17;s4;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N2OS |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3708 |
Area: | 595.847 |
Solvation: | -2.52533 |
Coulombic: | -30.7917 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 364.505 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.75 |
LogP (Chemaxon): | 6.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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