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Chemical ID: 5973023

Chemical ID:

5973023

Name [?]:

N-isobutyl-4-(8-methyl-3-oxo-5-oxa-2-azabicyclo[4.4.0]deca-7,9,11-trien-2-yl)-butanamide

SMILES [?]:

Cc1ccc2c(c1)OCC(=O)N2CCCC(=O)NCC(C)C

InChi [?]:

InChI=1/C17H24N2O3/c1-12(2)10-18-16(20)5-4-8-19-14-7-6-13(3)9-15(14)22-11-17(19)21/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H,18,20)

InChi Info:

AuxInfo=1/1/N:21,22,1,14,15,3,4,13,7,19,9,20,2,5,6,16,10,18,12,17,11,8/E:(1,2)/rA:22nCCCCCCCOCCONCCCCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s5s10;s12;s13;s14;s15;d16;s16;s18;s19;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₄N₂O₃
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	9.7269
Area:	535.558
Solvation:	-3.66205
Coulombic:	-45.4884

Bond Count [?]

All:	23
Single:	18
Double:	5
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	304.384
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.0
LogP (Chemaxon):	1.64

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value