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Chemical ID: 4060140

Chemical ID:

4060140

Name [?]:

N-(2,6-dimethylphenyl)-4-(4-fluorophenyl)-piperazine-1-carboxamide

SMILES [?]:

Cc1cccc(c1NC(=O)N2CCN(CC2)c3ccc(cc3)F)C

InChi [?]:

InChI=1/C19H22FN3O/c1-14-4-3-5-15(2)18(14)21-19(24)23-12-10-22(11-13-23)17-8-6-16(20)7-9-17/h3-9H,10-13H2,1-2H3,(H,21,24)

InChi Info:

AuxInfo=1/1/N:1,24,4,3,5,19,21,18,22,13,15,12,16,2,6,20,17,7,9,23,8,14,11,10/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:24nCCCCCCCNCONCCNCCCCCCCCFC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;d18;s19;d20;d17s21;s20;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₂FN₃O
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	9.41624
Area:	520.386
Solvation:	-3.5934
Coulombic:	-40.5222

Bond Count [?]

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

Chemical Properties

Molecular Weight:	327.396
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.48
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