Chemical ID: 4097964

c1ccc2c(c1)C(=O)C(=O)N2CN3CCN(CC3)CN4c5ccccc5C(=O)C4=O
Chemical ID:
4097964
Name [?]:
1-[[4-[(2,3-dioxoindolin-1-yl)methyl]piperazin-1-yl]methyl]indoline-2,3-dione
SMILES [?]:
c1ccc2c(c1)C(=O)C(=O)N2CN3CCN(CC3)CN4c5ccccc5C(=O)C4=O
InChi [?]:
InChI=1/C22H20N4O4/c27-19-15-5-1-3-7-17(15)25(21(19)29)13-23-9-11-24(12-10-23)14-26-18-8-4-2-6-16(18)20(28)22(26)30/h1-8H,9-14H2
InChi Info:
AuxInfo=1/0/N:1,24,2,23,6,25,3,22,14,18,15,17,12,19,5,26,4,21,7,27,9,29,13,16,11,20,8,28,10,30/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)/rA:30nCCCCCCCOCONCNCCNCCCNCCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s9;s11;s12;s13;s14;s15;s16;s13s17;s16;s19;s20;s21;d22;s23;d24;d21s25;s26;d27;s20s27;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20N4O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.2176
Area:609.342
Solvation:-5.01597
Coulombic:-63.8047
Bond Count [?]
All:34
Single:24
Double:10
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:404.419
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:1.01
LogP (Chemaxon):2.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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