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Chemical ID: 7340681
Chemical ID:
7340681
Name [?]:
N-[4-(4-chlorophenyl)thiazol-2-yl]-2-(2-methylphenoxy)-acetamide
SMILES [?]:
Cc1ccccc1OCC(=O)Nc2nc(cs2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H15ClN2O2S/c1-12-4-2-3-5-16(12)23-10-17(22)21-18-20-15(11-24-18)13-6-8-14(19)9-7-13/h2-9,11H,10H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,19,23,20,22,9,16,2,18,21,15,7,10,13,24,14,12,11,8,17/E:(6,7)(8,9)/rA:24nCCCCCCCOCCONCNCCSCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15ClN2O2S |
All Atoms: | 39 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.78305 |
Area: | 570.972 |
Solvation: | -4.49125 |
Coulombic: | -35.5248 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 358.843 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.36 |
LogP (Chemaxon): | 5.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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