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Chemical ID: 7125624
Chemical ID:
7125624
Name [?]:
5-(4-ethylphenyl)-4-(1-hydroxyethylidene)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione
SMILES [?]:
CCc1ccc(cc1)C2C(=C(C)O)C(=O)C(=O)N2CCc3c[nH]c4c3cccc4
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/h4-11,14,22,25,27H,3,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,27,28,26,29,4,8,5,7,20,19,22,11,3,6,21,25,24,10,9,14,16,23,18,13,15,17/E:(8,9)(10,11)/rA:29cCCCCCCCCCCCCOCOCONCCCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;w10;s11;s11;s10;d14;s14;d16;s9s16;s18;s19;s20;d21;s22;s23;s21s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O3 |
All Atoms: | 53 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.5412 |
Area: | 598.601 |
Solvation: | -3.42386 |
Coulombic: | -56.3467 |
Bond Count [?]
All: | 32 |
Single: | 22 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 388.459 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.68 |
LogP (Chemaxon): | 3.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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