Chemical ID: 5854733

CC1(CC2CC(C1)(CN2C(=O)C3CCN(CC3)Cc4cccc(c4)OCc5ccccc5)C)C
Chemical ID:
5854733
Name [?]:
[1-[(3-benzyloxyphenyl)methyl]-4-piperidyl]-(3,3,5-trimethyl-7-azabicyclo[3.2.1]oct-7-yl)-methanone
SMILES [?]:
CC1(CC2CC(C1)(CN2C(=O)C3CCN(CC3)Cc4cccc(c4)OCc5ccccc5)C)C
InChi [?]:
InChI=1/C30H40N2O2/c1-29(2)17-26-18-30(3,21-29)22-32(26)28(33)25-12-14-31(15-13-25)19-24-10-7-11-27(16-24)34-20-23-8-5-4-6-9-23/h4-11,16,25-26H,12-15,17-22H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,34,33,30,29,31,21,28,32,20,22,13,17,14,16,24,3,5,18,26,7,8,27,19,12,4,23,10,2,6,15,9,11,25/E:(1,2)(5,6)(8,9)(12,13)(14,15)/rA:34cCCCCCCCCNCOCCCNCCCCCCCCCOCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s4s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;s18;s19;d20;s21;d22;d19s23;s23;s25;s26;s27;d28;s29;d30;d27s31;s6;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H40N2O2
All Atoms:34
Heavy Atoms:34
Chiral Atoms:2
ZAP Information [?]
Total:13.5538
Area:716.017
Solvation:-4.34665
Coulombic:-31.3738
Bond Count [?]
All:38
Single:31
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:460.651
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.04
LogP (Chemaxon):5.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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