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Chemical ID: 4324234
Chemical ID:
4324234
Name [?]:
N-[5-[(4-methoxyphenyl)methyl]thiazol-2-yl]acetamide
SMILES [?]:
CC(=O)Nc1ncc(s1)Cc2ccc(cc2)OC
InChi [?]:
InChI=1/C13H14N2O2S/c1-9(16)15-13-14-8-12(18-13)7-10-3-5-11(17-2)6-4-10/h3-6,8H,7H2,1-2H3,(H,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,18,12,16,13,15,10,7,2,11,14,8,5,6,4,3,17,9/E:(3,4)(5,6)/rA:18nCCONCNCCSCCCCCCCOC/rB:s1;d2;s2;s4;d5;s6;d7;s5s8;s8;s10;s11;d12;s13;d14;d11s15;s14;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14N2O2S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.98959 |
Area: | 458.764 |
Solvation: | -4.47951 |
Coulombic: | -31.3132 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 262.329 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.14 |
LogP (Chemaxon): | 2.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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