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Chemical ID: 6324335

Cc1ccc(cc1)N2C(=O)CC(C2=O)N3CCN(CC3)C4CC(=O)N(C4=O)c5ccc(cc5)C

Chemical ID:

6324335

Name [?]:

3-[4-[2,5-dioxo-1-(p-tolyl)pyrrolidin-3-yl]piperazin-1-yl]-1-(p-tolyl)pyrrolidine-2,5-dione

SMILES [?]:

Cc1ccc(cc1)N2C(=O)CC(C2=O)N3CCN(CC3)C4CC(=O)N(C4=O)c5ccc(cc5)C

InChi [?]:

InChI=1/C26H28N4O4/c1-17-3-7-19(8-4-17)29-23(31)15-21(25(29)33)27-11-13-28(14-12-27)22-16-24(32)30(26(22)34)20-9-5-18(2)6-10-20/h3-10,21-22H,11-16H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,34,3,7,30,32,4,6,29,33,16,20,17,19,11,22,2,31,5,28,12,21,9,23,13,26,15,18,8,25,10,24,14,27/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)/rA:34cCCCCCCCNCOCCCONCCNCCCCCONCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s8s12;d13;s12;s15;s16;s17;s18;s15s19;s18;s21;s22;d23;s23;s21s25;d26;s25;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₈N₄O₄
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	2

ZAP Information [?]

Total:	11.1289
Area:	681.306
Solvation:	-5.9038
Coulombic:	-57.8923

Bond Count [?]

All:	38
Single:	28
Double:	10
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	460.525
H-Bond Donors:	0
H-Bond Acceptors:	8
XLogP:	1.53
LogP (Chemaxon):	2.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value