Chemical ID: 6261016

COc1ccc(c(c1)OC)c2csc(n2)NC(=O)c3cc(c(c(c3)OC)OC)OC
Chemical ID:
6261016
Name [?]:
N-[4-(2,4-dimethoxyphenyl)thiazol-2-yl]-3,4,5-trimethoxy-benzamide
SMILES [?]:
COc1ccc(c(c1)OC)c2csc(n2)NC(=O)c3cc(c(c(c3)OC)OC)OC
InChi [?]:
InChI=1/C21H22N2O6S/c1-25-13-6-7-14(16(10-13)26-2)15-11-30-21(22-15)23-20(24)12-8-17(27-3)19(29-5)18(9-12)28-4/h6-11H,1-5H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,10,26,30,28,4,5,24,20,8,12,19,3,6,11,7,23,21,22,17,14,15,16,18,2,9,25,29,27,13/E:(3,4)(8,9)(17,18)(27,28)/rA:30nCOCCCCCCOCCCSCNNCOCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;s21;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O6S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:6.65207
Area:651.9
Solvation:-9.64543
Coulombic:-60.7267
Bond Count [?]
All:32
Single:23
Double:9
Rotors:9
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:430.475
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.0
LogP (Chemaxon):3.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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