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Chemical ID: 6009115

Chemical ID:

6009115

Name [?]:

N-hexyl-2-methoxy-N-(thiazol-2-ylcarbamoylmethyl)benzamide

SMILES [?]:

CCCCCCN(CC(=O)Nc1nccs1)C(=O)c2ccccc2OC

InChi [?]:

InChI=1/C19H25N3O3S/c1-3-4-5-8-12-22(14-17(23)21-19-20-11-13-26-19)18(24)15-9-6-7-10-16(15)25-2/h6-7,9-11,13H,3-5,8,12,14H2,1-2H3,(H,20,21,23)

InChi Info:

AuxInfo=1/1/N:1,26,2,3,4,21,22,5,20,23,14,6,15,8,19,24,9,17,12,13,11,7,10,18,25,16/rA:26nCCCCCCNCCONCNCCSCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s7;d17;s17;s19;d20;s21;d22;d19s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₅N₃O₃S
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	8.76582
Area:	617.794
Solvation:	-6.67904
Coulombic:	-49.0559

Bond Count [?]

All:	27
Single:	20
Double:	7
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	375.486
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.28
LogP (Chemaxon):	3.28

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

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Chemical Mix	Source	External ID	Descriptor	Value