Chemical ID: 4153169

CCOc1ccc(cc1)c2csc(n2)NC(=O)COc3ccc(cc3C)C
Chemical ID:
4153169
Name [?]:
2-(2,4-dimethylphenoxy)-N-[4-(4-ethoxyphenyl)thiazol-2-yl]-acetamide
SMILES [?]:
CCOc1ccc(cc1)c2csc(n2)NC(=O)COc3ccc(cc3C)C
InChi [?]:
InChI=1/C21H22N2O3S/c1-4-25-17-8-6-16(7-9-17)18-13-27-21(22-18)23-20(24)12-26-19-10-5-14(2)11-15(19)3/h5-11,13H,4,12H2,1-3H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,27,26,2,22,6,8,5,9,21,24,18,11,23,25,7,4,10,20,16,13,14,15,17,3,19,12/E:(6,7)(8,9)/rA:27nCCOCCCCCCCCSCNNCOCOCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.98735
Area:628.117
Solvation:-5.71557
Coulombic:-41.6453
Bond Count [?]
All:29
Single:20
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:382.477
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.51
LogP (Chemaxon):5.24

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