Chemical ID: 5945771

CCOCCCN(Cc1nc(cs1)C(=O)OCC)C(=O)c2ccccc2C
Chemical ID:
5945771
Name [?]:
ethyl 2-[[3-ethoxypropyl-(2-methylbenzoyl)-amino]methyl]thiazole-4-carboxylate
SMILES [?]:
CCOCCCN(Cc1nc(cs1)C(=O)OCC)C(=O)c2ccccc2C
InChi [?]:
InChI=1/C20H26N2O4S/c1-4-25-12-8-11-22(19(23)16-10-7-6-9-15(16)3)13-18-21-17(14-27-18)20(24)26-5-2/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,27,2,17,24,23,5,25,22,6,4,8,12,26,21,11,9,19,14,10,7,20,15,3,16,13/rA:27nCCOCCCNCCNCCSCOOCCCOCCCCCCC/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;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26N2O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.3017
Area:647.136
Solvation:-4.87672
Coulombic:-52.0265
Bond Count [?]
All:28
Single:21
Double:7
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:390.498
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.19
LogP (Chemaxon):2.57

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