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Chemical ID: 4673551
Chemical ID:
4673551
Name [?]:
N-(4-phenyl-5-tert-butyl-thiazol-2-yl)acetamide
SMILES [?]:
CC(=O)Nc1nc(c(s1)C(C)(C)C)c2ccccc2
InChi [?]:
InChI=1/C15H18N2OS/c1-10(18)16-14-17-12(11-8-6-5-7-9-11)13(19-14)15(2,3)4/h5-9H,1-4H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,11,12,13,17,16,18,15,19,2,14,7,8,5,10,4,6,3,9/E:(2,3,4)(6,7)(8,9)/rA:19nCCONCNCCSCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s5s8;s8;s10;s10;s10;s7;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2OS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.59985 |
Area: | 453.035 |
Solvation: | -2.72603 |
Coulombic: | -26.8626 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 274.382 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.71 |
LogP (Chemaxon): | 4.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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