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Chemical ID: 3939343
Chemical ID:
3939343
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)Nc3ccc(cc3)F
InChi [?]:
InChI=1/C20H28FN3O2/c1-20(2,3)18(25)22-15-11-16-5-4-6-17(12-15)24(16)19(26)23-14-9-7-13(21)8-10-14/h7-10,15-17H,4-6,11-12H2,1-3H3,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,3,4,12,11,13,22,24,21,25,9,15,23,20,8,10,14,5,17,2,26,7,19,16,6,18/E:(1,2,3)(5,6)(7,8)(9,10)(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;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H28FN3O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.3527 |
Area: | 564.122 |
Solvation: | -3.7503 |
Coulombic: | -54.8258 |
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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