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Chemical ID: 6287314
Chemical ID:
6287314
Name [?]:
N-(4-benzo[1,3]dioxol-5-ylthiazol-2-yl)-2,5-dimethyl-benzamide
SMILES [?]:
Cc1ccc(c(c1)C(=O)Nc2nc(cs2)c3ccc4c(c3)OCO4)C
InChi [?]:
InChI=1/C19H16N2O3S/c1-11-3-4-12(2)14(7-11)18(22)21-19-20-15(9-25-19)13-5-6-16-17(8-13)24-10-23-16/h3-9H,10H2,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,3,4,17,18,7,21,14,23,2,5,16,6,13,19,20,8,11,12,10,9,24,22,15/rA:25nCCCCCCCCONCNCCSCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;d11;s12;d13;s11s14;s13;s16;d17;s18;d19;d16s20;s20;s22;s19s23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N2O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0644 |
Area: | 550.44 |
Solvation: | -3.6966 |
Coulombic: | -44.5072 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 352.408 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.46 |
LogP (Chemaxon): | 5.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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