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Chemical ID: 7165482

c1cc(cc(c1)F)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)c4ccc(cc4)F

Chemical ID:

7165482

Name [?]:

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

SMILES [?]:

c1cc(cc(c1)F)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)c4ccc(cc4)F

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,6,2,23,25,22,26,17,19,16,20,4,11,24,5,21,3,12,9,13,27,7,18,15,8,10,14/E:(4,5)(6,7)(8,9)(10,11)/rA:27cCCCCCCFNCOCCCON+CCNCCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s8s12;d13;s12;s15;s16;s17;s18;s15s19;s18;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	-25.4155
Area:	548.819
Solvation:	-39.136
Coulombic:	1.56707

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

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

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