Chemical ID: 5083211

Cc1ccc(cc1)Cc2cnc(s2)NC(=O)COc3ccc(cc3)OC
Chemical ID:
5083211
Name [?]:
2-(4-methoxyphenoxy)-N-[5-(p-tolylmethyl)thiazol-2-yl]-acetamide
SMILES [?]:
Cc1ccc(cc1)Cc2cnc(s2)NC(=O)COc3ccc(cc3)OC
InChi [?]:
InChI=1/C20H20N2O3S/c1-14-3-5-15(6-4-14)11-18-12-21-20(26-18)22-19(23)13-25-17-9-7-16(24-2)8-10-17/h3-10,12H,11,13H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,26,3,7,4,6,21,23,20,24,8,10,17,2,5,22,19,9,15,12,11,14,16,25,18,13/E:(3,4)(5,6)(7,8)(9,10)/rA:26nCCCCCCCCCCNCSNCOCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.65055
Area:606.327
Solvation:-6.50764
Coulombic:-40.1835
Bond Count [?]
All:28
Single:19
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:368.45
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.98
LogP (Chemaxon):4.03

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Descriptor Annotations

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