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Chemical ID: 6851626
Chemical ID:
6851626
Name [?]:
N-[4-(4-butoxyphenyl)thiazol-2-yl]acetamide
SMILES [?]:
CCCCOc1ccc(cc1)c2csc(n2)NC(=O)C
InChi [?]:
InChI=1/C15H18N2O2S/c1-3-4-9-19-13-7-5-12(6-8-13)14-10-20-15(17-14)16-11(2)18/h5-8,10H,3-4,9H2,1-2H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,20,2,3,8,10,7,11,4,13,18,9,6,12,15,17,16,19,5,14/E:(5,6)(7,8)/rA:20nCCCCOCCCCCCCCSCNNCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s13;s14;s12d15;s15;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2O2S |
All Atoms: | 38 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.14999 |
Area: | 511.084 |
Solvation: | -3.6271 |
Coulombic: | -33.4225 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 290.382 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.38 |
LogP (Chemaxon): | 3.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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