Chemical ID: 5854784

CC1(CC2CC(C1)(CN2C(=O)C3CCN(CC3)Cc4c(cccc4Cl)F)C)C
Chemical ID:
5854784
Name [?]:
[1-[(2-chloro-6-fluoro-phenyl)methyl]-4-piperidyl]-(3,3,5-trimethyl-7-azabicyclo[3.2.1]oct-7-yl)-methanone
SMILES [?]:
CC1(CC2CC(C1)(CN2C(=O)C3CCN(CC3)Cc4c(cccc4Cl)F)C)C
InChi [?]:
InChI=1/C23H32ClFN2O/c1-22(2)11-17-12-23(3,14-22)15-27(17)21(28)16-7-9-26(10-8-16)13-18-19(24)5-4-6-20(18)25/h4-6,16-17H,7-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,27,22,23,21,13,17,14,16,3,5,18,7,8,12,4,19,24,20,10,2,6,25,26,15,9,11/E:(1,2)(7,8)(9,10)/rA:28cCCCCCCCCNCOCCCNCCCCCCCCCClFCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s4s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;s18;s19;d20;s21;d22;d19s23;s24;s20;s6;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H32ClFN2O
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:11.7435
Area:592.222
Solvation:-3.06207
Coulombic:-26.6468
Bond Count [?]
All:31
Single:27
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:406.964
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.19
LogP (Chemaxon):4.65

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Descriptor Annotations

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