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Chemical ID: 3908059

Chemical ID:

3908059

Name [?]:

4-(4-methoxyphenyl)-N,N-bis[4-(4-methoxyphenyl)piperazin-6-yl]-piperazine-1-carboxamide

SMILES [?]:

COc1ccc(cc1)N2CCN(CC2)C(=O)NCc3ccccc3

InChi [?]:

InChI=1/C19H23N3O2/c1-24-18-9-7-17(8-10-18)21-11-13-22(14-12-21)19(23)20-15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,20,23)

InChi Info:

AuxInfo=1/1/N:1,22,21,23,20,24,5,7,4,8,10,14,11,13,18,19,6,3,15,17,9,12,16,2/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24nCOCCCCCCNCCNCCCONCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₃N₃O₂
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	9.84082
Area:	551.015
Solvation:	-3.93456
Coulombic:	-45.3633

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	325.405
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.93
LogP (Chemaxon):	2.91

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