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Chemical ID: 5940681

CCCCCCc1ccc(cc1)C(=O)N(CCCC)Cc2nc(cs2)C(=O)NCCCC

Chemical ID:

5940681

Name [?]:

N-butyl-2-[[butyl-(4-hexylbenzoyl)-amino]methyl]thiazole-4-carboxamide

SMILES [?]:

CCCCCCc1ccc(cc1)C(=O)N(CCCC)Cc2nc(cs2)C(=O)NCCCC

InChi [?]:

InChI=1/C26H39N3O2S/c1-4-7-10-11-12-21-13-15-22(16-14-21)26(31)29(18-9-6-3)19-24-28-23(20-32-24)25(30)27-17-8-5-2/h13-16,20H,4-12,17-19H2,1-3H3,(H,27,30)

InChi Info:

AuxInfo=1/1/N:1,32,19,2,31,18,3,30,17,4,5,6,8,12,9,11,29,16,20,24,7,10,23,21,26,13,28,22,15,27,14,25/E:(13,14)(15,16)/rA:32nCCCCCCCCCCCCCONCCCCCCNCCSCONCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;s17;s18;s15;s20;d21;s22;d23;s21s24;s23;d26;s26;s28;s29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₉N₃O₂S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	17.1765
Area:	786.949
Solvation:	-2.49723
Coulombic:	-50.1421

Bond Count [?]

All:	33
Single:	26
Double:	7
Rotors:	17
Chiral:	0
Rigid Segments:	12

Chemical Properties

Molecular Weight:	457.673
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	7.09
LogP (Chemaxon):	5.74

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value