Chemical ID: 6169021

Cc1cccc(c1OCC(=O)Nc2nc(c(s2)C)c3ccccc3)C
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

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Descriptor Annotations

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