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Chemical ID: 7088948

Chemical ID:

7088948

Name [?]:

8-(3,4-dimethoxyphenyl)-9-(piperazin-1-ylmethyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene

SMILES [?]:

COc1ccc(cc1OC)c2c(n3ccccc3n2)CN4CCNCC4

InChi [?]:

InChI=1/C20H24N4O2/c1-25-17-7-6-15(13-18(17)26-2)20-16(14-23-11-8-21-9-12-23)24-10-4-3-5-19(24)22-20/h3-7,10,13,21H,8-9,11-12,14H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,10,16,15,17,5,4,23,25,14,22,26,7,20,6,12,3,8,18,11,24,19,21,13,2,9/E:(8,9)(11,12)/rA:26nCOCCCCCCOCCCNCCCCCNCNCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s12;s13;d14;s15;d16;s13s17;s11d18;s12;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₄N₄O₂
All Atoms:	50
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	7.82473
Area:	548.115
Solvation:	-5.87815
Coulombic:	-38.5945

Bond Count [?]

All:	29
Single:	22
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	352.43
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	1.67
LogP (Chemaxon):	2.01

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