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Chemical ID: 5745176

Chemical ID:

5745176

Name [?]:

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

SMILES [?]:

c1cc(ccc1N2CCN(CC2)C(=O)Nc3ccc(cc3F)F)F

InChi [?]:

InChI=1/C17H16F3N3O/c18-12-1-4-14(5-2-12)22-7-9-23(10-8-22)17(24)21-16-6-3-13(19)11-15(16)20/h1-6,11H,7-10H2,(H,21,24)

InChi Info:

AuxInfo=1/1/N:2,4,18,1,5,17,8,12,9,11,20,3,19,6,21,16,13,24,23,22,15,7,10,14/E:(1,2)(4,5)(7,8)(9,10)/rA:24nCCCCCCNCCNCCCONCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₆F₃N₃O
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	7.93092
Area:	497.85
Solvation:	-4.51532
Coulombic:	-47.3494

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	335.324
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.35
LogP (Chemaxon):	3.32

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