Chemical ID: 6266868

CCOc1ccc(cc1)c2c(sc(n2)NC(=O)c3ccc(cc3)C(C)(C)C)C
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

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Descriptor Annotations

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