Chemical ID: 5940685

CCCCNC(=O)c1csc(n1)CN(CCCC)C(=O)c2cc(cc(c2)Cl)Cl
Chemical ID:
5940685
Name [?]:
N-butyl-2-[[butyl-(3,5-dichlorobenzoyl)-amino]methyl]thiazole-4-carboxamide
SMILES [?]:
CCCCNC(=O)c1csc(n1)CN(CCCC)C(=O)c2cc(cc(c2)Cl)Cl
InChi [?]:
InChI=1/C20H25Cl2N3O2S/c1-3-5-7-23-19(26)17-13-28-18(24-17)12-25(8-6-4-2)20(27)14-9-15(21)11-16(22)10-14/h9-11,13H,3-8,12H2,1-2H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,18,2,17,3,16,4,15,22,26,24,13,9,21,23,25,8,11,6,19,28,27,5,12,14,7,20,10/E:(9,10)(15,16)(21,22)/rA:28nCCCCNCOCCSCNCNCCCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;s10;s8d11;s11;s13;s14;s15;s16;s17;s14;d19;s19;s21;d22;s23;d24;d21s25;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25Cl2N3O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:14.6499
Area:692.072
Solvation:-2.65189
Coulombic:-48.0933
Bond Count [?]
All:29
Single:22
Double:7
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:442.403
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.16
LogP (Chemaxon):4.33

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