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Chemical ID: 4240426
Chemical ID:
4240426
Name [?]:
N-(4,5-dimethylthiazol-2-yl)-2-(2-methoxyphenoxy)-acetamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)COc2ccccc2OC)C
InChi [?]:
InChI=1/C14H16N2O3S/c1-9-10(2)20-14(15-9)16-13(17)8-19-12-7-5-4-6-11(12)18-3/h4-7H,8H2,1-3H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,20,19,15,14,16,13,10,2,3,17,12,8,5,6,7,9,18,11,4/rA:20nCCCSCNNCOCOCCCCCCOCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N2O3S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.20044 |
Area: | 494.438 |
Solvation: | -7.1605 |
Coulombic: | -38.444 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 292.355 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.3 |
LogP (Chemaxon): | 2.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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