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Chemical ID: 3860928
Chemical ID:
3860928
Name [?]:
N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-2-(2,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide
SMILES [?]:
Cc1cccc(c1OCC(=O)N(CCOC)c2nc(cs2)c3cc(ccc3OC)OC)C
InChi [?]:
InChI=1/C24H28N2O5S/c1-16-7-6-8-17(2)23(16)31-14-22(27)26(11-12-28-3)24-25-20(15-32-24)19-13-18(29-4)9-10-21(19)30-5/h6-10,13,15H,11-12,14H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,32,16,31,29,4,3,5,25,26,13,14,23,9,20,2,6,24,22,19,27,10,7,17,18,12,11,15,30,28,8,21/E:(1,2)(7,8)(16,17)/rA:32nCCCCCCCOCCONCCOCCNCCSCCCCCCOCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s12;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;s27;s28;s24;s30;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H28N2O5S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.22723 |
Area: | 689.557 |
Solvation: | -10.0117 |
Coulombic: | -49.1355 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 456.556 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.74 |
LogP (Chemaxon): | 4.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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