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Chemical ID: 6743423

c1ccc(cc1)N2CC[NH+](CC2)C3CC(=O)N(C3=O)c4ccc(cc4)F

Chemical ID:

6743423

Name [?]:

1-(4-fluorophenyl)-3-(4-phenyl-2,3,5,6-tetrahydropyrazin-1-yl)-pyrrolidine-2,5-dione

SMILES [?]:

c1ccc(cc1)N2CC[NH+](CC2)C3CC(=O)N(C3=O)c4ccc(cc4)F

InChi [?]:

InChI=1/C20H20FN3O2/c21-15-6-8-17(9-7-15)24-19(25)14-18(20(24)26)23-12-10-22(11-13-23)16-4-2-1-3-5-16/h1-9,18H,10-14H2/p+1

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,22,24,21,25,8,12,9,11,14,23,4,20,13,15,18,26,7,10,17,16,19/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:26cCCCCCCNCCN+CCCCCONCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;s13;s14;d15;s15;s13s17;d18;s17;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₁FN₃O₂₊
All Atoms:	47
Heavy Atoms:	26
Chiral Atoms:	1

ZAP Information [?]

Total:	-23.7211
Area:	540.194
Solvation:	-37.2259
Coulombic:	3.2333

Bond Count [?]

All:	29
Single:	21
Double:	8
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	354.398
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.51
LogP (Chemaxon):	2.94

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value