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Chemical ID: 4148432
Chemical ID:
4148432
Name [?]:
2-(2,6-dimethylphenoxy)-N-(4-phenylthiazol-2-yl)-acetamide
SMILES [?]:
Cc1cccc(c1OCC(=O)Nc2nc(cs2)c3ccccc3)C
InChi [?]:
InChI=1/C19H18N2O2S/c1-13-7-6-8-14(2)18(13)23-11-17(22)21-19-20-16(12-24-19)15-9-4-3-5-10-15/h3-10,12H,11H2,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,21,20,22,4,3,5,19,23,9,16,2,6,18,15,10,7,13,14,12,11,8,17/E:(1,2)(4,5)(7,8)(9,10)(13,14)/rA:24nCCCCCCCOCCONCNCCSCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.74475 |
Area: | 557.658 |
Solvation: | -4.19669 |
Coulombic: | -35.9025 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 338.424 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.96 |
LogP (Chemaxon): | 5.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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