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Chemical ID: 5545344
Chemical ID:
5545344
Name [?]:
N-(5-acetyl-4-methyl-thiazol-2-yl)-2-(2-phenylphenoxy)-acetamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)COc2ccccc2c3ccccc3)C(=O)C
InChi [?]:
InChI=1/C20H18N2O3S/c1-13-19(14(2)23)26-20(21-13)22-18(24)12-25-17-11-7-6-10-16(17)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,26,21,20,22,15,14,19,23,16,13,10,2,24,18,17,12,8,3,5,6,7,25,9,11,4/E:(4,5)(8,9)/rA:26nCCCSCNNCOCOCCCCCCCCCCCCCOC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;d19;s20;d21;d18s22;s3;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18N2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.589 |
Area: | 583.465 |
Solvation: | -5.99762 |
Coulombic: | -41.121 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 366.435 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.16 |
LogP (Chemaxon): | 3.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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