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Chemical ID: 4296410

CCOc1ccc(cc1)N2C(=O)CC(C2=O)N3CCN(CC3)c4ccccc4Cl

Chemical ID:

4296410

Name [?]:

3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(4-ethoxyphenyl)-pyrrolidine-2,5-dione

SMILES [?]:

CCOc1ccc(cc1)N2C(=O)CC(C2=O)N3CCN(CC3)c4ccccc4Cl

InChi [?]:

InChI=1/C22H24ClN3O3/c1-2-29-17-9-7-16(8-10-17)26-21(27)15-20(22(26)28)25-13-11-24(12-14-25)19-6-4-3-5-18(19)23/h3-10,20H,2,11-15H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,26,25,27,24,6,8,5,9,19,21,18,22,13,7,4,28,23,14,11,15,29,20,17,10,12,16,3/E:(7,8)(9,10)(11,12)(13,14)/rA:29cCCOCCCCCCNCOCCCONCCNCCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s10s14;d15;s14;s17;s18;s19;s20;s17s21;s20;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₄ClN₃O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	1

ZAP Information [?]

Total:	10.5524
Area:	627.083
Solvation:	-5.12471
Coulombic:	-43.7303

Bond Count [?]

All:	32
Single:	24
Double:	8
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	413.897
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	3.31
LogP (Chemaxon):	3.41

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