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Chemical ID: 7060332
Chemical ID:
7060332
Name [?]:
5-(3-ethoxy-4-hydroxy-phenyl)-3-hydroxy-4-(4-pyridylcarbonyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1cc(ccc1O)C2C(=C(C(=O)N2Cc3cccnc3)O)C(=O)c4ccncc4
InChi [?]:
InChI=1/C24H21N3O5/c1-2-32-19-12-17(5-6-18(19)28)21-20(22(29)16-7-10-25-11-8-16)23(30)24(31)27(21)14-15-4-3-9-26-13-15/h3-13,21,28,30H,2,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,20,19,7,8,28,32,21,29,31,5,23,17,18,27,6,9,4,12,11,25,13,14,30,22,16,10,26,24,15,3/E:(7,8)(10,11)/rA:32cCCOCCCCCCOCCCCONCCCCCNCOCOCCCNCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;s11;d12;s13;d14;s11s14;s16;s17;s18;d19;s20;d21;d18s22;s13;s12;d25;s25;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21N3O5 |
All Atoms: | 53 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.38371 |
Area: | 650.049 |
Solvation: | -7.86751 |
Coulombic: | -73.4016 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.34 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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