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Chemical ID: 4246657

Chemical ID:

4246657

Name [?]:

(4-methylpiperazin-1-yl)-(3,5,6-trimethylbenzofuran-2-yl)-methanone

SMILES [?]:

Cc1cc2c(c(oc2cc1C)C(=O)N3CCN(CC3)C)C

InChi [?]:

InChI=1/C17H22N2O2/c1-11-9-14-13(3)16(21-15(14)10-12(11)2)17(20)19-7-5-18(4)6-8-19/h9-10H,5-8H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,11,21,20,16,18,15,19,3,9,2,10,5,4,8,6,12,17,14,13,7/E:(5,6)(7,8)/rA:21nCCCCCCOCCCCCONCCNCCCC/rB:s1;s2;d3;s4;d5;s6;s4s7;d8;d2s9;s10;s6;d12;s12;s14;s15;s16;s17;s14s18;s17;s5;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₂N₂O₂
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	9.97219
Area:	478.14
Solvation:	-1.98131
Coulombic:	-31.9819

Bond Count [?]

All:	23
Single:	18
Double:	5
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	286.369
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	2.29
LogP (Chemaxon):	2.74

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value