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Chemical ID: 5932649

CC1CCN(CC1)C(=O)c2ccc(o2)CN(Cc3ccccc3)Cc4ccc(c(c4)OC)OC

Chemical ID:

5932649

Name [?]:

[5-[[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]-2-furyl]-(4-methyl-1-piperidyl)-methanone

SMILES [?]:

CC1CCN(CC1)C(=O)c2ccc(o2)CN(Cc3ccccc3)Cc4ccc(c(c4)OC)OC

InChi [?]:

InChI=1/C28H34N2O4/c1-21-13-15-30(16-14-21)28(31)26-12-10-24(34-26)20-29(18-22-7-5-4-6-8-22)19-23-9-11-25(32-2)27(17-23)33-3/h4-12,17,21H,13-16,18-20H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,34,32,21,20,22,19,23,26,12,27,11,3,7,4,6,30,17,24,15,2,18,25,13,28,10,29,8,16,5,9,33,31,14/E:(5,6)(7,8)(13,14)(15,16)/rA:34cCCCCNCCCOCCCCOCNCCCCCCCCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;d10;s11;d12;s10s13;s13;s15;s16;s17;s18;d19;s20;d21;d18s22;s16;s24;s25;d26;s27;d28;d25s29;s29;s31;s28;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₄N₂O₄
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	10.8484
Area:	706.961
Solvation:	-6.82564
Coulombic:	-47.3298

Bond Count [?]

All:	37
Single:	28
Double:	9
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	462.581
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	4.38
LogP (Chemaxon):	3.89

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value