Chemical ID: 5945790

CCOCCCN(Cc1nc(cs1)C(=O)OCC)C(=O)c2cccc(c2)C(F)(F)F
Chemical ID:
5945790
Name [?]:
ethyl 2-[[3-ethoxypropyl-[3-(trifluoromethyl)benzoyl]-amino]methyl]thiazole-4-carboxylate
SMILES [?]:
CCOCCCN(Cc1nc(cs1)C(=O)OCC)C(=O)c2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C20H23F3N2O4S/c1-3-28-10-6-9-25(12-17-24-16(13-30-17)19(27)29-4-2)18(26)14-7-5-8-15(11-14)20(21,22)23/h5,7-8,11,13H,3-4,6,9-10,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,17,23,5,22,24,6,4,26,8,12,21,25,11,9,19,14,27,28,29,30,10,7,20,15,3,16,13/E:(21,22,23)/rA:30nCCOCCCNCCNCCSCOOCCCOCCCCCCCFFF/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s9s12;s11;d14;s14;s16;s17;s7;d19;s19;s21;d22;s23;d24;d21s25;s25;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23F3N2O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.0856
Area:671.266
Solvation:-5.69608
Coulombic:-69.8089
Bond Count [?]
All:31
Single:24
Double:7
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:444.469
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.68
LogP (Chemaxon):2.98

Name Annotations

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Descriptor Annotations

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