Chemical ID: 4152457

Cc1ccc(cc1)c2csc(n2)NC(=O)COc3ccc(c(c3)C)C
Chemical ID:
4152457
Name [?]:
2-(3,4-dimethylphenoxy)-N-[4-(p-tolyl)thiazol-2-yl]-acetamide
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)NC(=O)COc3ccc(c(c3)C)C
InChi [?]:
InChI=1/C20H20N2O2S/c1-13-4-7-16(8-5-13)18-12-25-20(21-18)22-19(23)11-24-17-9-6-14(2)15(3)10-17/h4-10,12H,11H2,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,24,3,7,20,4,6,19,23,16,9,2,21,22,5,18,8,14,11,12,13,15,17,10/E:(4,5)(7,8)/rA:25nCCCCCCCCCSCNNCOCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.0583
Area:584.524
Solvation:-4.55481
Coulombic:-34.8833
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:352.451
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.82
LogP (Chemaxon):5.62

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Descriptor Annotations

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