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Chemical ID: 6218067
Chemical ID:
6218067
Name [?]:
2-(4-chlorophenoxy)-N-[4-(4-methoxyphenyl)thiazol-2-yl]-acetamide
SMILES [?]:
COc1ccc(cc1)c2csc(n2)NC(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H15ClN2O3S/c1-23-14-6-2-12(3-7-14)16-11-25-18(20-16)21-17(22)10-24-15-8-4-13(19)5-9-15/h2-9,11H,10H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,7,21,23,4,8,20,24,17,10,6,22,3,19,9,15,12,25,13,14,16,2,18,11/E:(2,3)(4,5)(6,7)(8,9)/rA:25nCOCCCCCCCCSCNNCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15ClN2O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.90946 |
Area: | 594.28 |
Solvation: | -5.94753 |
Coulombic: | -41.5098 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 374.842 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.05 |
LogP (Chemaxon): | 4.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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