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Chemical ID: 6018201

CC1(CC2CC(C1)(CN2C(=O)CC(c3cc(cc(c3)OC)OC)c4c[nH]c5c4cccc5)C)C

Chemical ID:

6018201

Name [?]:

3-(3,5-dimethoxyphenyl)-3-(1H-indol-3-yl)-1-(3,3,5-trimethyl-7-azabicyclo[3.2.1]oct-7-yl)-propan-1-one

SMILES [?]:

CC1(CC2CC(C1)(CN2C(=O)CC(c3cc(cc(c3)OC)OC)c4c[nH]c5c4cccc5)C)C

InChi [?]:

InChI=1/C29H36N2O3/c1-28(2)14-20-15-29(3,17-28)18-31(20)27(32)13-24(19-10-21(33-4)12-22(11-19)34-5)25-16-30-26-9-7-6-8-23(25)26/h6-12,16,20,24,30H,13-15,17-18H2,1-5H3

InChi Info:

AuxInfo=1/0/N:1,34,33,21,23,30,31,29,32,19,15,17,12,3,5,25,7,8,14,4,18,16,28,13,24,27,10,2,6,26,9,11,20,22/E:(1,2)(4,5)(10,11)(21,22)(33,34)/rA:34cCCCCCCCCNCOCCCCCCCCOCOCCCNCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s4s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;s16;s22;s13;d24;s25;s26;s24s27;d28;s29;d30;d27s31;s6;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₃₆N₂O₃
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	3

ZAP Information [?]

Total:	11.3629
Area:	673.083
Solvation:	-5.46413
Coulombic:	-41.8573

Bond Count [?]

All:	38
Single:	30
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	460.608
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	5.73
LogP (Chemaxon):	5.52

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value