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Chemical ID: 7292649
Chemical ID:
7292649
Name [?]:
2-(4-ethoxy-3-methoxy-phenyl)-4-[(2-methoxyphenoxy)methyl]thiazole
SMILES [?]:
CCOc1ccc(cc1OC)c2nc(cs2)COc3ccccc3OC
InChi [?]:
InChI=1/C20H21NO4S/c1-4-24-18-10-9-14(11-19(18)23-3)20-21-15(13-26-20)12-25-17-8-6-5-7-16(17)22-2/h5-11,13H,4,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,11,2,22,21,23,20,6,5,8,17,15,7,14,24,19,4,9,12,13,25,10,3,18,16/rA:26nCCOCCCCCCOCCNCCSCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;d12;s13;d14;s12s15;s14;s17;s18;s19;d20;s21;d22;d19s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21NO4S |
All Atoms: | 47 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.93091 |
Area: | 603.596 |
Solvation: | -7.15899 |
Coulombic: | -36.3135 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 371.451 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.71 |
LogP (Chemaxon): | 3.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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