Chemical ID: 5541220

CCOc1ccccc1C(=O)Nc2nc(c(s2)C)c3ccc(cc3)OC
Chemical ID:
5541220
Name [?]:
2-ethoxy-N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-benzamide
SMILES [?]:
CCOc1ccccc1C(=O)Nc2nc(c(s2)C)c3ccc(cc3)OC
InChi [?]:
InChI=1/C20H20N2O3S/c1-4-25-17-8-6-5-7-16(17)19(23)22-20-21-18(13(2)26-20)14-9-11-15(24-3)12-10-14/h5-12H,4H2,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,18,26,2,7,6,8,5,20,24,21,23,16,19,22,9,4,15,10,13,14,12,11,25,3,17/E:(9,10)(11,12)/rA:26nCCOCCCCCCCONCNCCSCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s16;s15;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:9.24915
Area:586.737
Solvation:-5.41927
Coulombic:-41.9327
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:368.45
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.93
LogP (Chemaxon):4.28

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