Chemical ID: 4705960

c1ccc(c(c1)CN2C(=O)c3ccccc3C2=O)CN4C(=O)c5ccccc5C4=O
Chemical ID:
4705960
Name [?]:
2-[[2-[(1,3-dioxoisoindolin-2-yl)methyl]phenyl]methyl]isoindoline-1,3-dione
SMILES [?]:
c1ccc(c(c1)CN2C(=O)c3ccccc3C2=O)CN4C(=O)c5ccccc5C4=O
InChi [?]:
InChI=1/C24H16N2O4/c27-21-17-9-3-4-10-18(17)22(28)25(21)13-15-7-1-2-8-16(15)14-26-23(29)19-11-5-6-12-20(19)24(26)30/h1-12H,13-14H2
InChi Info:
AuxInfo=1/0/N:1,2,13,14,25,26,6,3,12,15,24,27,7,19,5,4,11,16,23,28,9,17,21,29,8,20,10,18,22,30/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:30nCCCCCCCNCOCCCCCCCOCNCOCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s8s16;d17;s4;s19;s20;d21;s21;s23;d24;s25;d26;d23s27;s20s28;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H16N2O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.7882
Area:597.604
Solvation:-4.1519
Coulombic:-55.0331
Bond Count [?]
All:34
Single:21
Double:13
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:396.395
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.67
LogP (Chemaxon):2.76

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Descriptor Annotations

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