Chemical ID: 4167939

c1ccc(cc1)COc2ccc3c(c2)c(c[nH]3)CCN4C(=O)CCC4=O
Chemical ID:
4167939
Name [?]:
1-[2-(5-benzyloxy-1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione
SMILES [?]:
c1ccc(cc1)COc2ccc3c(c2)c(c[nH]3)CCN4C(=O)CCC4=O
InChi [?]:
InChI=1/C21H20N2O3/c24-20-8-9-21(25)23(20)11-10-16-13-22-19-7-6-17(12-18(16)19)26-14-15-4-2-1-3-5-15/h1-7,12-13,22H,8-11,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,10,11,23,24,18,19,14,16,7,4,15,9,13,12,21,25,17,20,22,26,8/E:(2,3)(4,5)(8,9)(20,21)(24,25)/rA:26nCCCCCCCOCCCCCCCCNCCNCOCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s13;d15;s12s16;s15;s18;s19;s20;d21;s21;s23;s20s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20N2O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.37501
Area:573.961
Solvation:-4.97403
Coulombic:-42.0368
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:348.395
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.74
LogP (Chemaxon):3.13

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue