Chemical ID: 5945813

CCOCCCN(Cc1nc(cs1)C(=O)OCC)C(=O)c2cccc(c2)Cl
Chemical ID:
5945813
Name [?]:
ethyl 2-[[(3-chlorobenzoyl)-(3-ethoxypropyl)amino]methyl]thiazole-4-carboxylate
SMILES [?]:
CCOCCCN(Cc1nc(cs1)C(=O)OCC)C(=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C19H23ClN2O4S/c1-3-25-10-6-9-22(18(23)14-7-5-8-15(20)11-14)12-17-21-16(13-27-17)19(24)26-4-2/h5,7-8,11,13H,3-4,6,9-10,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,17,23,5,22,24,6,4,26,8,12,21,25,11,9,19,14,27,10,7,20,15,3,16,13/rA:27nCCOCCCNCCNCCSCOOCCCOCCCCCCCl/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23ClN2O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.6789
Area:662.378
Solvation:-4.88054
Coulombic:-51.9255
Bond Count [?]
All:28
Single:21
Double:7
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:410.916
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.38
LogP (Chemaxon):2.62

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