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Chemical ID: 6143896
Chemical ID:
6143896
Name [?]:
N-[5-[(3-chlorophenyl)methyl]thiazol-2-yl]-2-(4-methylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1)OCC(=O)Nc2ncc(s2)Cc3cccc(c3)Cl
InChi [?]:
InChI=1/C19H17ClN2O2S/c1-13-5-7-16(8-6-13)24-12-18(23)22-19-21-11-17(25-19)10-14-3-2-4-15(20)9-14/h2-9,11H,10,12H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,3,7,4,6,24,18,15,9,2,19,23,5,16,10,13,25,14,12,11,8,17/E:(5,6)(7,8)/rA:25nCCCCCCCOCCONCNCCSCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s16;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17ClN2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.81907 |
Area: | 602.717 |
Solvation: | -5.24885 |
Coulombic: | -34.3119 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 372.869 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.69 |
LogP (Chemaxon): | 4.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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