Chemical ID: 5932551

CC(C)(C)N(Cc1ccc(cc1)F)Cc2ccc(o2)C(=O)N3CCCCC3
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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