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Chemical ID: 4152638
Chemical ID:
4152638
Name [?]:
2,6-dimethoxy-N-[5-methyl-4-(p-tolyl)thiazol-2-yl]-benzamide
SMILES [?]:
Cc1ccc(cc1)c2c(sc(n2)NC(=O)c3c(cccc3OC)OC)C
InChi [?]:
InChI=1/C20H20N2O3S/c1-12-8-10-14(11-9-12)18-13(2)26-20(21-18)22-19(23)17-15(24-3)6-5-7-16(17)25-4/h5-11H,1-4H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,26,23,25,19,20,18,3,7,4,6,2,9,5,21,17,16,8,14,11,12,13,15,22,24,10/E:(3,4)(6,7)(8,9)(10,11)(15,16)(24,25)/rA:26nCCCCCCCCCSCNNCOCCCCCCOCOCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s22;s17;s24;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.35957 |
Area: | 582.922 |
Solvation: | -5.21346 |
Coulombic: | -42.5521 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 368.45 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.95 |
LogP (Chemaxon): | 4.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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