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Chemical ID: 4161308
Chemical ID:
4161308
Name [?]:
2-(3,4-dimethylphenoxy)-N-(5-methyl-4-phenyl-thiazol-2-yl)-acetamide
SMILES [?]:
Cc1ccc(cc1C)OCC(=O)Nc2nc(c(s2)C)c3ccccc3
InChi [?]:
InChI=1/C20H20N2O2S/c1-13-9-10-17(11-14(13)2)24-12-18(23)21-20-22-19(15(3)25-20)16-7-5-4-6-8-16/h4-11H,12H2,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,8,19,23,22,24,21,25,3,4,6,10,2,7,17,20,5,11,16,14,13,15,12,9,18/E:(5,6)(7,8)/rA:25nCCCCCCCCOCCONCNCCSCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s11;s13;d14;s15;d16;s14s17;s17;s16;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0469 |
Area: | 578.792 |
Solvation: | -4.42295 |
Coulombic: | -35.333 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 352.451 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.24 |
LogP (Chemaxon): | 5.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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