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Chemical ID: 6261016
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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