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Chemical ID: 5531878
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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