Chemical ID: 6218191

Cc1cccc(c1)OCC(=O)Nc2ncc(s2)Cc3ccc(cc3)OC
Chemical ID:
6218191
Name [?]:
N-[5-[(4-methoxyphenyl)methyl]thiazol-2-yl]-2-(3-methylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1)OCC(=O)Nc2ncc(s2)Cc3ccc(cc3)OC
InChi [?]:
InChI=1/C20H20N2O3S/c1-14-4-3-5-17(10-14)25-13-19(23)22-20-21-12-18(26-20)11-15-6-8-16(24-2)9-7-15/h3-10,12H,11,13H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,26,4,3,5,20,24,21,23,7,18,15,9,2,19,22,6,16,10,13,14,12,11,25,8,17/E:(6,7)(8,9)/rA:26nCCCCCCCOCCONCNCCSCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s16;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:8.4619
Area:604.239
Solvation:-6.64408
Coulombic:-40.3801
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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