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Chemical ID: 5973464

Chemical ID:

5973464

Name [?]:

N-hexyl-5-[(9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)methyl]furan-2-carboxamide

SMILES [?]:

CCCCCCNC(=O)c1ccc(o1)CN2c3ccccc3OCC2=O

InChi [?]:

InChI=1/C20H24N2O4/c1-2-3-4-7-12-21-20(24)18-11-10-15(26-18)13-22-16-8-5-6-9-17(16)25-14-19(22)23/h5-6,8-11H,2-4,7,12-14H2,1H3,(H,21,24)

InChi Info:

AuxInfo=1/1/N:1,2,3,4,19,20,5,18,21,12,11,6,15,24,13,17,22,10,25,8,7,16,26,9,23,14/rA:26nCCCCCCNCOCCCCOCNCCCCCCOCCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;d10;s11;d12;s10s13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;s23;s16s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₄N₂O₄
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	10.8217
Area:	599.369
Solvation:	-4.16255
Coulombic:	-56.5728

Bond Count [?]

All:	28
Single:	21
Double:	7
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	356.416
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.11
LogP (Chemaxon):	1.99

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