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Chemical ID: 6266868
Chemical ID:
6266868
Name [?]:
N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]-4-tert-butyl-benzamide
SMILES [?]:
CCOc1ccc(cc1)c2c(sc(n2)NC(=O)c3ccc(cc3)C(C)(C)C)C
InChi [?]:
InChI=1/C23H26N2O2S/c1-6-27-19-13-9-16(10-14-19)20-15(2)28-22(24-20)25-21(26)17-7-11-18(12-8-17)23(3,4)5/h7-14H,6H2,1-5H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,28,25,26,27,2,19,23,6,8,20,22,5,9,11,7,18,21,4,10,16,13,24,14,15,17,3,12/E:(3,4,5)(7,8)(9,10)(11,12)(13,14)/rA:28nCCOCCCCCCCCSCNNCOCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;d19;s20;d21;d18s22;s21;s24;s24;s24;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26N2O2S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.5832 |
Area: | 636.986 |
Solvation: | -3.34146 |
Coulombic: | -37.4218 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 394.531 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.84 |
LogP (Chemaxon): | 6.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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