Chemical ID: 6266865

CCOc1ccc(cc1)c2c(sc(n2)NC(=O)C(C)C)C
Chemical ID:
6266865
Name [?]:
N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]-2-methyl-propanamide
SMILES [?]:
CCOc1ccc(cc1)c2c(sc(n2)NC(=O)C(C)C)C
InChi [?]:
InChI=1/C16H20N2O2S/c1-5-20-13-8-6-12(7-9-13)14-11(4)21-16(17-14)18-15(19)10(2)3/h6-10H,5H2,1-4H3,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,19,20,21,2,6,8,5,9,18,11,7,4,10,16,13,14,15,17,3,12/E:(2,3)(6,7)(8,9)/rA:21nCCOCCCCCCCCSCNNCOCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;s18;s11;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2O2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.55481
Area:516.686
Solvation:-3.36235
Coulombic:-34.1755
Bond Count [?]
All:22
Single:16
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:304.408
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.85
LogP (Chemaxon):3.99

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