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Chemical ID: 4161367
Chemical ID:
4161367
Name [?]:
2-(2-bromophenoxy)-N-[4-(4-chlorophenyl)thiazol-2-yl]-acetamide
SMILES [?]:
c1ccc(c(c1)OCC(=O)Nc2nc(cs2)c3ccc(cc3)Cl)Br
InChi [?]:
InChI=1/C17H12BrClN2O2S/c18-13-3-1-2-4-15(13)23-9-16(22)21-17-20-14(10-24-17)11-5-7-12(19)8-6-11/h1-8,10H,9H2,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,18,22,19,21,8,15,17,20,4,14,5,9,12,24,23,13,11,10,7,16/E:(5,6)(7,8)/rA:24nCCCCCCOCCONCNCCSCCCCCCClBr/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H12BrClN2O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.92111 |
Area: | 585.41 |
Solvation: | -4.71414 |
Coulombic: | -35.4173 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 423.712 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.93 |
LogP (Chemaxon): | 5.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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