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Chemical ID: 4167939
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
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Experimental Annotations
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Descriptor Annotations
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