Chemical ID: 7310529

CCc1ccc(cc1)c2csc(n2)NC(=O)COc3ccc(cc3)C(=O)C
Chemical ID:
7310529
Name [?]:
2-(4-acetylphenoxy)-N-[4-(4-ethylphenyl)thiazol-2-yl]-acetamide
SMILES [?]:
CCc1ccc(cc1)c2csc(n2)NC(=O)COc3ccc(cc3)C(=O)C
InChi [?]:
InChI=1/C21H20N2O3S/c1-3-15-4-6-17(7-5-15)19-13-27-21(22-19)23-20(25)12-26-18-10-8-16(9-11-18)14(2)24/h4-11,13H,3,12H2,1-2H3,(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,27,2,4,8,5,7,21,23,20,24,17,10,25,3,22,6,19,9,15,12,13,14,26,16,18,11/E:(4,5)(6,7)(8,9)(10,11)/rA:27nCCCCCCCCCCSCNNCOCOCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20N2O3S
All Atoms:47
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.0278
Area:627.438
Solvation:-5.65812
Coulombic:-41.9462
Bond Count [?]
All:29
Single:19
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:380.461
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.25
LogP (Chemaxon):4.39

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