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Chemical ID: 6478205
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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