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Chemical ID: 5973250

Chemical ID:

5973250

Name [?]:

N-hexyl-4-[(9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)methyl]benzamide

SMILES [?]:

CCCCCCNC(=O)c1ccc(cc1)CN2c3ccccc3OCC2=O

InChi [?]:

InChI=1/C22H26N2O3/c1-2-3-4-7-14-23-22(26)18-12-10-17(11-13-18)15-24-19-8-5-6-9-20(19)27-16-21(24)25/h5-6,8-13H,2-4,7,14-16H2,1H3,(H,23,26)

InChi Info:

AuxInfo=1/1/N:1,2,3,4,20,21,5,19,22,12,14,11,15,6,16,25,13,10,18,23,26,8,7,17,27,9,24/E:(10,11)(12,13)/rA:27nCCCCCCNCOCCCCCCCNCCCCCCOCCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;s16;s17;s18;d19;s20;d21;d18s22;s23;s24;s17s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₆N₂O₃
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	11.9372
Area:	619.638
Solvation:	-3.55372
Coulombic:	-49.5122

Bond Count [?]

All:	29
Single:	21
Double:	8
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	366.454
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.4
LogP (Chemaxon):	3.27

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