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Chemical ID: 4152462
Chemical ID:
4152462
Name [?]:
2-(3-bromophenoxy)-N-[4-(p-tolyl)thiazol-2-yl]-acetamide
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)NC(=O)COc3cccc(c3)Br
InChi [?]:
InChI=1/C18H15BrN2O2S/c1-12-5-7-13(8-6-12)16-11-24-18(20-16)21-17(22)10-23-15-4-2-3-14(19)9-15/h2-9,11H,10H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,20,21,19,3,7,4,6,23,16,9,2,5,22,18,8,14,11,24,12,13,15,17,10/E:(5,6)(7,8)/rA:24nCCCCCCCCCSCNNCOCOCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15BrN2O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.78271 |
Area: | 572.704 |
Solvation: | -4.53488 |
Coulombic: | -34.9627 |
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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