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Chemical ID: 4091000
Chemical ID:
4091000
Name [?]:
2-(3,5-dimethylphenoxy)-N-(4-phenylthiazol-2-yl)-acetamide
SMILES [?]:
Cc1cc(cc(c1)OCC(=O)Nc2nc(cs2)c3ccccc3)C
InChi [?]:
InChI=1/C19H18N2O2S/c1-13-8-14(2)10-16(9-13)23-11-18(22)21-19-20-17(12-24-19)15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,21,20,22,19,23,3,7,5,9,16,2,4,18,6,15,10,13,14,12,11,8,17/E:(1,2)(4,5)(6,7)(9,10)(13,14)/rA:24nCCCCCCCOCCONCNCCSCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.55048 |
Area: | 562.463 |
Solvation: | -4.5111 |
Coulombic: | -35.1881 |
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: | 4.38 |
LogP (Chemaxon): | 5.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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