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Chemical ID: 5940632

CCCCNC(=O)c1csc(n1)CN(CCCC)C(=O)c2ccccc2

Chemical ID:

5940632

Name [?]:

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

SMILES [?]:

CCCCNC(=O)c1csc(n1)CN(CCCC)C(=O)c2ccccc2

InChi [?]:

InChI=1/C20H27N3O2S/c1-3-5-12-21-19(24)17-15-26-18(22-17)14-23(13-6-4-2)20(25)16-10-8-7-9-11-16/h7-11,15H,3-6,12-14H2,1-2H3,(H,21,24)

InChi Info:

AuxInfo=1/1/N:1,18,2,17,3,16,24,23,25,22,26,4,15,13,9,21,8,11,6,19,5,12,14,7,20,10/E:(8,9)(10,11)/rA:26nCCCCNCOCCSCNCNCCCCCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;s10;s8d11;s11;s13;s14;s15;s16;s17;s14;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₇N₃O₂S
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	13.2672
Area:	633.836
Solvation:	-2.57868
Coulombic:	-48.6715

Bond Count [?]

All:	27
Single:	20
Double:	7
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	373.513
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.91
LogP (Chemaxon):	3.29

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