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Chemical ID: 3860919
Chemical ID:
3860919
Name [?]:
N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-N-(2-methoxyethyl)-2-(4-methylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1)OCC(=O)N(CCOC)c2nc(cs2)c3cc(ccc3OC)OC
InChi [?]:
InChI=1/C23H26N2O5S/c1-16-5-7-17(8-6-16)30-14-22(26)25(11-12-27-2)23-24-20(15-31-23)19-13-18(28-3)9-10-21(19)29-4/h5-10,13,15H,11-12,14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,16,31,29,3,7,4,6,25,26,13,14,23,9,20,2,5,24,22,19,27,10,17,18,12,11,15,30,28,8,21/E:(5,6)(7,8)/rA:31nCCCCCCCOCCONCCOCCNCCSCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;s15;s12;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;s27;s28;s24;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26N2O5S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.51404 |
Area: | 676.705 |
Solvation: | -10.4036 |
Coulombic: | -48.4946 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 442.529 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.73 |
LogP (Chemaxon): | 3.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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