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Chemical ID: 3856011
Chemical ID:
3856011
Name [?]:
N-(2-methoxyethyl)-N-[4-(4-methoxyphenyl)thiazol-2-yl]-2-(4-methylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1)OCC(=O)N(CCOC)c2nc(cs2)c3ccc(cc3)OC
InChi [?]:
InChI=1/C22H24N2O4S/c1-16-4-8-19(9-5-16)28-14-21(25)24(12-13-26-2)22-23-20(15-29-22)17-6-10-18(27-3)11-7-17/h4-11,15H,12-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,29,3,7,23,27,4,6,24,26,13,14,9,20,2,22,25,5,19,10,17,18,12,11,15,28,8,21/E:(4,5)(6,7)(8,9)(10,11)/rA:29nCCCCCCCOCCONCCOCCNCCSCCCCCCOC/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;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N2O4S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.84046 |
Area: | 645.048 |
Solvation: | -8.28573 |
Coulombic: | -43.4992 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 412.503 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.81 |
LogP (Chemaxon): | 4.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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