Chemical ID: 4324772

Cc1ccc(cc1)Cc2cnc(s2)NC(=O)COc3cccc(c3)C
Chemical ID:
4324772
Name [?]:
2-(3-methylphenoxy)-N-[5-(p-tolylmethyl)thiazol-2-yl]-acetamide
SMILES [?]:
Cc1ccc(cc1)Cc2cnc(s2)NC(=O)COc3cccc(c3)C
InChi [?]:
InChI=1/C20H20N2O2S/c1-14-6-8-16(9-7-14)11-18-12-21-20(25-18)22-19(23)13-24-17-5-3-4-15(2)10-17/h3-10,12H,11,13H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,21,22,20,3,7,4,6,24,8,10,17,2,23,5,19,9,15,12,11,14,16,18,13/E:(6,7)(8,9)/rA:25nCCCCCCCCCCNCSNCOCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.54588
Area:591.221
Solvation:-5.23465
Coulombic:-33.9583
Bond Count [?]
All:27
Single:18
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:352.451
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.5
LogP (Chemaxon):4.75

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