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Chemical ID: 5637420
Chemical ID:
5637420
Name [?]:
3,4,5-trimethoxy-N-[4-(2-methoxyphenyl)thiazol-2-yl]-benzamide
SMILES [?]:
COc1ccccc1c2csc(n2)NC(=O)c3cc(c(c(c3)OC)OC)OC
InChi [?]:
InChI=1/C20H20N2O5S/c1-24-15-8-6-5-7-13(15)14-11-28-20(21-14)22-19(23)12-9-16(25-2)18(27-4)17(10-12)26-3/h5-11H,1-4H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,28,26,6,5,7,4,22,18,10,17,8,9,3,21,19,20,15,12,13,14,16,2,23,27,25,11/E:(2,3)(9,10)(16,17)(25,26)/rA:28nCOCCCCCCCCSCNNCOCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s19;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O5S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.83566 |
Area: | 609.758 |
Solvation: | -8.40829 |
Coulombic: | -54.5979 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 400.449 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.09 |
LogP (Chemaxon): | 3.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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