Chemical ID: 5531878

Cc1ccc(cc1)OCC(=O)Nc2nc(cs2)c3ccc(cc3)Br
Chemical ID:
5531878
Name [?]:
N-[4-(4-bromophenyl)thiazol-2-yl]-2-(4-methylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1)OCC(=O)Nc2nc(cs2)c3ccc(cc3)Br
InChi [?]:
InChI=1/C18H15BrN2O2S/c1-12-2-8-15(9-3-12)23-10-17(22)21-18-20-16(11-24-18)13-4-6-14(19)7-5-13/h2-9,11H,10H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,7,19,23,20,22,4,6,9,16,2,18,21,5,15,10,13,24,14,12,11,8,17/E:(2,3)(4,5)(6,7)(8,9)/rA:24nCCCCCCCOCCONCNCCSCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15BrN2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.76782
Area:569.836
Solvation:-4.47807
Coulombic:-35.0603
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:403.294
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.75
LogP (Chemaxon):5.48

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