Chemical ID: 7285660

c1ccc(cc1)N2CCN(CC2)C(=O)c3ccc4c(c3)C(=O)N(C4=O)Cc5ccco5
Chemical ID:
7285660
Name [?]:
2-(2-furylmethyl)-5-(4-phenylpiperazin-1-yl)carbonyl-isoindoline-1,3-dione
SMILES [?]:
c1ccc(cc1)N2CCN(CC2)C(=O)c3ccc4c(c3)C(=O)N(C4=O)Cc5ccco5
InChi [?]:
InChI=1/C24H21N3O4/c28-22(26-12-10-25(11-13-26)18-5-2-1-3-6-18)17-8-9-20-21(15-17)24(30)27(23(20)29)16-19-7-4-14-31-19/h1-9,14-15H,10-13,16H2
InChi Info:
AuxInfo=1/0/N:1,2,6,29,3,5,28,16,17,8,12,9,11,30,20,26,15,4,27,18,19,13,24,21,7,10,23,14,25,22,31/E:(2,3)(5,6)(10,11)(12,13)/rA:31nCCCCCCNCCNCCCOCCCCCCCONCOCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;d16;s17;d18;d15s19;s19;d21;s21;s18s23;d24;s23;s26;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H21N3O4
All Atoms:52
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.2633
Area:629.267
Solvation:-5.46836
Coulombic:-56.2392
Bond Count [?]
All:35
Single:24
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:415.441
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.9
LogP (Chemaxon):2.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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