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Chemical ID: 6744194

c1cc(ccc1N2CC[NH+](CC2)C3CC(=O)N(C3=O)c4ccc(cc4)F)F

Chemical ID:

6744194

Name [?]:

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

SMILES [?]:

c1cc(ccc1N2CC[NH+](CC2)C3CC(=O)N(C3=O)c4ccc(cc4)F)F

InChi [?]:

InChI=1/C20H19F2N3O2/c21-14-1-5-16(6-2-14)23-9-11-24(12-10-23)18-13-19(26)25(20(18)27)17-7-3-15(22)4-8-17/h1-8,18H,9-13H2/p+1

InChi Info:

AuxInfo=1/1/N:2,4,22,24,1,5,21,25,8,12,9,11,14,3,23,6,20,13,15,18,27,26,7,10,17,16,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:27cCCCCCCNCCN+CCCCCONCOCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s7s11;s10;s13;s14;d15;s15;s13s17;d18;s17;s20;d21;s22;d23;d20s24;s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₀F₂N₃O₂₊
All Atoms:	47
Heavy Atoms:	27
Chiral Atoms:	1

ZAP Information [?]

Total:	-25.5569
Area:	547.668
Solvation:	-39.2486
Coulombic:	1.66546

Bond Count [?]

All:	30
Single:	22
Double:	8
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	372.389
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.67
LogP (Chemaxon):	3.08

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