Chemical ID: 6478205

CC(C)(C)c1ccc(cc1)c2csc(n2)Nc3cccc4c3cccc4
Chemical ID:
6478205
Name [?]:
N-(1-naphthyl)-4-(4-tert-butylphenyl)-thiazol-2-amine
SMILES [?]:
CC(C)(C)c1ccc(cc1)c2csc(n2)Nc3cccc4c3cccc4
InChi [?]:
InChI=1/C23H22N2S/c1-23(2,3)18-13-11-17(12-14-18)21-15-26-22(25-21)24-20-10-6-8-16-7-4-5-9-19(16)20/h4-15H,1-3H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,3,4,25,24,19,26,20,23,18,7,9,6,10,12,21,8,5,22,17,11,14,2,16,15,13/E:(1,2,3)(11,12)(13,14)/rA:26nCCCCCCCCCCCCSCNNCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s12;s13;s11d14;s14;s16;s17;d18;s19;d20;d17s21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H22N2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.7259
Area:575.563
Solvation:-1.66314
Coulombic:-22.2557
Bond Count [?]
All:29
Single:19
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:358.5
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:7.15
LogP (Chemaxon):7.27

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Descriptor Annotations

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