Chemical ID: 5637420

COc1ccccc1c2csc(n2)NC(=O)c3cc(c(c(c3)OC)OC)OC
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

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Descriptor Annotations

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