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Chemical ID: 3860940
Chemical ID:
3860940
Name [?]:
N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-N-(3-methoxypropyl)-2-(3-methylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1)OCC(=O)N(CCCOC)c2nc(cs2)c3cc(ccc3OC)OC
InChi [?]:
InChI=1/C24H28N2O5S/c1-17-7-5-8-19(13-17)31-15-23(27)26(11-6-12-28-2)24-25-21(16-32-24)20-14-18(29-3)9-10-22(20)30-4/h5,7-10,13-14,16H,6,11-12,15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,17,32,30,4,14,3,5,26,27,13,15,7,24,9,21,2,25,6,23,20,28,10,18,19,12,11,16,31,29,8,22/rA:32nCCCCCCCOCCONCCCOCCNCCSCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;s14;s15;s16;s12;d18;s19;d20;s18s21;s20;s23;d24;s25;d26;d23s27;s28;s29;s25;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H28N2O5S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.64208 |
Area: | 711.118 |
Solvation: | -10.1359 |
Coulombic: | -49.2662 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 456.556 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.09 |
LogP (Chemaxon): | 3.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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