Chemical ID: 5940631

CCCCNC(=O)c1csc(n1)CN(CCCC)C(=O)C(C)(C)C
Chemical ID:
5940631
Name [?]:
N-butyl-2-[(butyl-(2,2-dimethylpropanoyl)amino)methyl]thiazole-4-carboxamide
SMILES [?]:
CCCCNC(=O)c1csc(n1)CN(CCCC)C(=O)C(C)(C)C
InChi [?]:
InChI=1/C18H31N3O2S/c1-6-8-10-19-16(22)14-13-24-15(20-14)12-21(11-9-7-2)17(23)18(3,4)5/h13H,6-12H2,1-5H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,18,22,23,24,2,17,3,16,4,15,13,9,8,11,6,19,21,5,12,14,7,20,10/E:(3,4,5)/rA:24nCCCCNCOCCSCNCNCCCCCOCCCC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;s10;s8d11;s11;s13;s14;s15;s16;s17;s14;d19;s19;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H31N3O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:12.6071
Area:606.648
Solvation:-2.55913
Coulombic:-46.405
Bond Count [?]
All:24
Single:20
Double:4
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:353.524
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.94
LogP (Chemaxon):3.42

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