Chemical ID: 3860941

Cc1ccccc1OCC(=O)N(CCCOC)c2nc(cs2)c3cc(ccc3OC)OC
Chemical ID:
3860941
Name [?]:
N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-N-(3-methoxypropyl)-2-(2-methylphenoxy)-acetamide
SMILES [?]:
Cc1ccccc1OCC(=O)N(CCCOC)c2nc(cs2)c3cc(ccc3OC)OC
InChi [?]:
InChI=1/C24H28N2O5S/c1-17-8-5-6-9-21(17)31-15-23(27)26(12-7-13-28-2)24-25-20(16-32-24)19-14-18(29-3)10-11-22(19)30-4/h5-6,8-11,14,16H,7,12-13,15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,17,32,30,4,5,14,3,6,26,27,13,15,24,9,21,2,25,23,20,7,28,10,18,19,12,11,16,31,29,8,22/rA:32nCCCCCCCOCCONCCCOCCNCCSCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;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:7.67937
Area:710.708
Solvation:-10.0883
Coulombic:-49.3989
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:3.88
LogP (Chemaxon):3.84

Name Annotations

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Descriptor Annotations

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