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Chemical ID: 5326824

Chemical ID:

5326824

Name [?]:

1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrrolidine-2,5-dione

SMILES [?]:

COc1ccccc1N2CCN(CC2)CCCCN3C(=O)CCC3=O

InChi [?]:

InChI=1/C19H27N3O3/c1-25-17-7-3-2-6-16(17)21-14-12-20(13-15-21)10-4-5-11-22-18(23)8-9-19(22)24/h2-3,6-7H,4-5,8-15H2,1H3

InChi Info:

AuxInfo=1/0/N:1,6,5,16,17,7,4,22,23,15,18,11,13,10,14,8,3,20,24,12,9,19,21,25,2/E:(8,9)(12,13)(14,15)(18,19)(23,24)/rA:25nCOCCCCCCNCCNCCCCCCNCOCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s9s13;s12;s15;s16;s17;s18;s19;d20;s20;s22;s19s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₇N₃O₃
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	8.60085
Area:	580.174
Solvation:	-5.9035
Coulombic:	-40.8369

Bond Count [?]

All:	27
Single:	22
Double:	5
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	345.436
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	1.47
LogP (Chemaxon):	1.36

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