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Chemical ID: 5932551
Chemical ID:
5932551
Name [?]:
[5-[[(4-fluorophenyl)methyl-tert-butyl-amino]methyl]-2-furyl]-(1-piperidyl)methanone
SMILES [?]:
CC(C)(C)N(Cc1ccc(cc1)F)Cc2ccc(o2)C(=O)N3CCCCC3
InChi [?]:
InChI=1/C22H29FN2O2/c1-22(2,3)25(15-17-7-9-18(23)10-8-17)16-19-11-12-20(27-19)21(26)24-13-5-4-6-14-24/h7-12H,4-6,13-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,25,24,26,8,12,9,11,16,17,23,27,6,14,7,10,15,18,20,2,13,22,5,21,19/E:(1,2,3)(5,6)(7,8)(9,10)(13,14)/rA:27cCCCCNCCCCCCCFCCCCCOCONCCCCC/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;d10;d7s11;s10;s5;s14;d15;s16;d17;s15s18;s18;d20;s20;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H29FN2O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.4137 |
Area: | 555.065 |
Solvation: | -3.46295 |
Coulombic: | -36.4241 |
Bond Count [?]
All: | 29 |
Single: | 23 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 372.476 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.07 |
LogP (Chemaxon): | 3.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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