ChemDB: Chemical Search
Download
Chemical ID: 6474811
Chemical ID:
6474811
Name [?]:
4-acetyl-5-(4-ethylphenyl)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-5H-pyrrol-2-one
SMILES [?]:
CCc1ccc(cc1)C2C(=C(C(=O)N2CCc3c[nH]c4c3cccc4)O)C(=O)C
InChi [?]:
InChI=1/C24H24N2O3/c1-3-16-8-10-17(11-9-16)22-21(15(2)27)23(28)24(29)26(22)13-12-18-14-25-20-7-5-4-6-19(18)20/h4-11,14,22,25,28H,3,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,2,23,24,22,25,4,8,5,7,16,15,18,27,3,6,17,21,20,10,9,11,12,19,14,28,26,13/E:(8,9)(10,11)/rA:29cCCCCCCCCCCCCONCCCCNCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s9s12;s14;s15;s16;d17;s18;s19;s17s20;d21;s22;d23;d20s24;s11;s10;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.7558 |
Area: | 617.839 |
Solvation: | -4.69019 |
Coulombic: | -53.2974 |
Bond Count [?]
All: | 32 |
Single: | 22 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 388.459 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.32 |
LogP (Chemaxon): | 4.2 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|