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Chemical ID: 3939340

Chemical ID:

3939340

Name [?]:

7-acetamido-N,N-bis(7-acetamido-9-azabicyclo[3.3.1]non-5-yl)-9-azabicyclo[3.3.1]nonane-9-carboxamide

SMILES [?]:

CC(=O)NC1CC2CCCC(C1)N2C(=O)Nc3ccc(cc3)F

InChi [?]:

InChI=1/C17H22FN3O2/c1-11(22)19-14-9-15-3-2-4-16(10-14)21(15)17(23)20-13-7-5-12(18)6-8-13/h5-8,14-16H,2-4,9-10H2,1H3,(H,19,22)(H,20,23)

InChi Info:

AuxInfo=1/1/N:1,9,8,10,19,21,18,22,6,12,2,20,17,5,7,11,14,23,4,16,13,3,15/E:(3,4)(5,6)(7,8)(9,10)(15,16)/rA:23cCCONCCCCCCCCNCONCCCCCCF/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s5s11;s7s11;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₂FN₃O₂
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	2

ZAP Information [?]

Total:	8.64588
Area:	504.484
Solvation:	-3.96621
Coulombic:	-52.9032

Bond Count [?]

All:	25
Single:	20
Double:	5
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	319.374
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	2.2
LogP (Chemaxon):	1.63

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