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Chemical ID: 6266867
Chemical ID:
6266867
Name [?]:
N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]-2,2-dimethyl-propanamide
SMILES [?]:
CCOc1ccc(cc1)c2c(sc(n2)NC(=O)C(C)(C)C)C
InChi [?]:
InChI=1/C17H22N2O2S/c1-6-21-13-9-7-12(8-10-13)14-11(2)22-16(18-14)19-15(20)17(3,4)5/h7-10H,6H2,1-5H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,19,20,21,2,6,8,5,9,11,7,4,10,16,13,18,14,15,17,3,12/E:(3,4,5)(7,8)(9,10)/rA:22nCCOCCCCCCCCSCNNCOCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;s18;s18;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22N2O2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0401 |
Area: | 533.244 |
Solvation: | -3.29104 |
Coulombic: | -34.7958 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 318.435 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.05 |
LogP (Chemaxon): | 4.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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