Chemical ID: 6474811

CCc1ccc(cc1)C2C(=C(C(=O)N2CCc3c[nH]c4c3cccc4)O)C(=O)C
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

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Descriptor Annotations

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