Chemical ID: 4155232

CCOc1ccc(cc1)c2csc(n2)NC(=O)COc3c(ccc(c3C)C)C
Chemical ID:
4155232
Name [?]:
N-[4-(4-ethoxyphenyl)thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)-acetamide
SMILES [?]:
CCOc1ccc(cc1)c2csc(n2)NC(=O)COc3c(ccc(c3C)C)C
InChi [?]:
InChI=1/C22H24N2O3S/c1-5-26-18-10-8-17(9-11-18)19-13-28-22(23-19)24-20(25)12-27-21-15(3)7-6-14(2)16(21)4/h6-11,13H,5,12H2,1-4H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,27,28,26,2,23,22,6,8,5,9,18,11,24,21,25,7,4,10,16,20,13,14,15,17,3,19,12/E:(8,9)(10,11)/rA:28nCCOCCCCCCCCSCNNCOCOCCCCCCCCC/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;s24;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24N2O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.5586
Area:641.131
Solvation:-5.46966
Coulombic:-42.0795
Bond Count [?]
All:30
Single:21
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:396.504
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.74
LogP (Chemaxon):5.71

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Descriptor Annotations

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