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Chemical ID: 7287307
Chemical ID:
7287307
Name [?]:
N-[4-(4-acetamidophenyl)thiazol-2-yl]-2-(2,6-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1OCC(=O)Nc2nc(cs2)c3ccc(cc3)NC(=O)C)C
InChi [?]:
InChI=1/C21H21N3O3S/c1-13-5-4-6-14(2)20(13)27-11-19(26)24-21-23-18(12-28-21)16-7-9-17(10-8-16)22-15(3)25/h4-10,12H,11H2,1-3H3,(H,22,25)(H,23,24,26)
InChi Info:
AuxInfo=1/1/N:1,28,27,4,3,5,19,23,20,22,9,16,2,6,25,18,21,15,10,7,13,24,14,12,26,11,8,17/E:(1,2)(5,6)(7,8)(9,10)(13,14)/rA:28nCCCCCCCOCCONCNCCSCCCCCCNCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s21;s24;d25;s25;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21N3O3S |
All Atoms: | 49 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2502 |
Area: | 634.253 |
Solvation: | -5.60611 |
Coulombic: | -53.3277 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 395.476 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.22 |
LogP (Chemaxon): | 4.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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