Chemical ID: 5945800

CCc1ccc(cc1)C(=O)N(CCCOCC)Cc2nc(cs2)C(=O)OCC
Chemical ID:
5945800
Name [?]:
ethyl 2-[[3-ethoxypropyl-(4-ethylbenzoyl)-amino]methyl]thiazole-4-carboxylate
SMILES [?]:
CCc1ccc(cc1)C(=O)N(CCCOCC)Cc2nc(cs2)C(=O)OCC
InChi [?]:
InChI=1/C21H28N2O4S/c1-4-16-8-10-17(11-9-16)20(24)23(12-7-13-26-5-2)14-19-22-18(15-28-19)21(25)27-6-3/h8-11,15H,4-7,12-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,28,2,16,27,13,4,8,5,7,12,14,18,22,3,6,21,19,9,24,20,11,10,25,15,26,23/E:(8,9)(10,11)/rA:28nCCCCCCCCCONCCCOCCCCNCCSCOOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s15;s16;s11;s18;d19;s20;d21;s19s22;s21;d24;s24;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H28N2O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.4048
Area:673.425
Solvation:-4.43086
Coulombic:-52.65
Bond Count [?]
All:29
Single:22
Double:7
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:404.524
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.66
LogP (Chemaxon):2.96

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Descriptor Annotations

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