Chemical ID: 5940731

CCCCc1ccc(cc1)C(=O)N(CCC)Cc2nc(cs2)C(=O)NCCC
Chemical ID:
5940731
Name [?]:
2-[[(4-butylbenzoyl)-propyl-amino]methyl]-N-propyl-thiazole-4-carboxamide
SMILES [?]:
CCCCc1ccc(cc1)C(=O)N(CCC)Cc2nc(cs2)C(=O)NCCC
InChi [?]:
InChI=1/C22H31N3O2S/c1-4-7-8-17-9-11-18(12-10-17)22(27)25(14-6-3)15-20-24-19(16-28-20)21(26)23-13-5-2/h9-12,16H,4-8,13-15H2,1-3H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,28,16,2,27,15,3,4,6,10,7,9,26,14,17,21,5,8,20,18,23,11,25,19,13,24,12,22/E:(9,10)(11,12)/rA:28nCCCCCCCCCCCONCCCCCNCCSCONCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;s13;s17;d18;s19;d20;s18s21;s20;d23;s23;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H31N3O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:14.509
Area:679.451
Solvation:-2.47727
Coulombic:-48.8975
Bond Count [?]
All:29
Single:22
Double:7
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:401.567
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.81
LogP (Chemaxon):4.16

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