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Chemical ID: 5916743

CCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)C3CCC3

Chemical ID:

5916743

Name [?]:

N-butyl-N-[[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)carbamoyl]methyl]cyclobutanecarboxamide

SMILES [?]:

CCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)C3CCC3

InChi [?]:

InChI=1/C26H36N2O4S/c1-4-5-14-28(26(30)21-8-6-9-21)19-25(29)27(18-22-10-7-16-33-22)15-13-20-11-12-23(31-2)24(17-20)32-3/h7,10-12,16-17,21H,4-6,8-9,13-15,18-19H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,21,19,2,3,32,25,31,33,24,13,14,11,4,10,26,17,22,6,12,30,23,15,16,7,28,9,5,8,29,20,18,27/E:(8,9)/rA:33nCCCCNCCONCCCCCCCCOCOCCCCCCSCOCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;s20;s9;s22;d23;s24;d25;s23s26;s5;d28;s28;s30;s31;s30s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₆N₂O₄S
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	11.709
Area:	743.745
Solvation:	-6.88459
Coulombic:	-48.6249

Bond Count [?]

All:	35
Single:	28
Double:	7
Rotors:	15
Chiral:	0
Rigid Segments:	11

Chemical Properties

Molecular Weight:	472.641
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	3.49
LogP (Chemaxon):	3.64

Name Annotations

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

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