Chemical ID: 5917202

CCCCNC(=O)N(CCCC)CC(=O)N(Cc1ccccc1)Cc2cccs2
Chemical ID:
5917202
Name [?]:
N-benzyl-2-(butyl-(butylcarbamoyl)amino)-N-(2-thienylmethyl)acetamide
SMILES [?]:
CCCCNC(=O)N(CCCC)CC(=O)N(Cc1ccccc1)Cc2cccs2
InChi [?]:
InChI=1/C23H33N3O2S/c1-3-5-14-24-23(28)25(15-6-4-2)19-22(27)26(18-21-13-10-16-29-21)17-20-11-8-7-9-12-20/h7-13,16H,3-6,14-15,17-19H2,1-2H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,12,2,11,3,10,21,20,22,27,19,23,26,4,9,28,17,24,13,18,25,14,6,5,8,16,15,7,29/E:(8,9)(11,12)/rA:29nCCCCNCONCCCCCCONCCCCCCCCCCCCS/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s16;s24;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H33N3O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.5597
Area:688.385
Solvation:-3.64996
Coulombic:-50.3244
Bond Count [?]
All:30
Single:23
Double:7
Rotors:15
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:415.593
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.99
LogP (Chemaxon):3.99

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