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Chemical ID: 6169021
Chemical ID:
6169021
Name [?]:
2-(2,6-dimethylphenoxy)-N-(5-methyl-4-phenyl-thiazol-2-yl)-acetamide
SMILES [?]:
Cc1cccc(c1OCC(=O)Nc2nc(c(s2)C)c3ccccc3)C
InChi [?]:
InChI=1/C20H20N2O2S/c1-13-8-7-9-14(2)19(13)24-12-17(23)21-20-22-18(15(3)25-20)16-10-5-4-6-11-16/h4-11H,12H2,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,18,22,21,23,4,3,5,20,24,9,2,6,16,19,10,15,7,13,12,14,11,8,17/E:(1,2)(5,6)(8,9)(10,11)(13,14)/rA:25nCCCCCCCOCCONCNCCSCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s16;s15;s19;d20;s21;d22;d19s23;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.248 |
Area: | 573.352 |
Solvation: | -4.08582 |
Coulombic: | -36.1002 |
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: | 3.81 |
LogP (Chemaxon): | 5.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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