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Chemical ID: 6216849
Chemical ID:
6216849
Name [?]:
N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-2-methyl-benzamide
SMILES [?]:
Cc1ccccc1C(=O)Nc2nc(cs2)c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C19H18N2O3S/c1-12-6-4-5-7-14(12)18(22)21-19-20-15(11-25-19)13-8-9-16(23-2)17(10-13)24-3/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,23,4,5,3,6,17,18,21,14,2,16,7,13,19,20,8,11,12,10,9,24,22,15/rA:25nCCCCCCCCONCNCCSCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s13;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.41652 |
Area: | 559.989 |
Solvation: | -5.58321 |
Coulombic: | -42.3458 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 354.424 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.83 |
LogP (Chemaxon): | 4.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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