Chemical ID: 3939339

CC(C)(C)C(=O)NC1CC2CCCC(C1)N2C(=O)Nc3cccc(c3)F
Chemical ID:
3939339
Name [?]:
7-(2,2-dimethylpropanoylamino)-N,N-bis[7-(2,2-dimethylpropanoylamino)-9-azabicyclo[3.3.1]non-5-yl]-9-azabicyclo[3.3.1]nonane-9-carboxamide
SMILES [?]:
CC(C)(C)C(=O)NC1CC2CCCC(C1)N2C(=O)Nc3cccc(c3)F
InChi [?]:
InChI=1/C20H28FN3O2/c1-20(2,3)18(25)22-15-11-16-8-5-9-17(12-15)24(16)19(26)23-14-7-4-6-13(21)10-14/h4,6-7,10,15-17H,5,8-9,11-12H2,1-3H3,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,3,4,22,12,23,21,11,13,25,9,15,24,20,8,10,14,5,17,2,26,7,19,16,6,18/E:(1,2,3)(8,9)(11,12)(16,17)/rA:26cCCCCCONCCCCCCCCNCONCCCCCCF/rB:s1;s2;s2;s2;d5;s5;s7;s8;s9;s10;s11;s12;s13;s8s14;s10s14;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H28FN3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:2
ZAP Information [?]
Total:10.4395
Area:564.122
Solvation:-3.66357
Coulombic:-54.9353
Bond Count [?]
All:28
Single:23
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:361.454
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.95
LogP (Chemaxon):3.49

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Descriptor Annotations

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