Chemical ID: 7298682

Cc1ccc(c(c1)c2csc(n2)NC(=O)COc3cccc(c3)C(=O)C)C
Chemical ID:
7298682
Name [?]:
2-(3-acetylphenoxy)-N-[4-(2,5-dimethylphenyl)thiazol-2-yl]-acetamide
SMILES [?]:
Cc1ccc(c(c1)c2csc(n2)NC(=O)COc3cccc(c3)C(=O)C)C
InChi [?]:
InChI=1/C21H20N2O3S/c1-13-7-8-14(2)18(9-13)19-12-27-21(22-19)23-20(25)11-26-17-6-4-5-16(10-17)15(3)24/h4-10,12H,11H2,1-3H3,(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,27,26,20,21,19,3,4,7,23,16,9,2,5,24,22,18,6,8,14,11,12,13,25,15,17,10/rA:27nCCCCCCCCCSCNNCOCOCCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s22;d24;s24;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20N2O3S
All Atoms:47
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.43158
Area:614.332
Solvation:-5.92673
Coulombic:-41.1567
Bond Count [?]
All:29
Single:19
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:380.461
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.22
LogP (Chemaxon):4.46

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Descriptor Annotations

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