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Chemical ID: 7060145
Chemical ID:
7060145
Name [?]:
5-(4-ethoxyphenyl)-3-hydroxy-4-(4-pyridylcarbonyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1)C2C(=C(C(=O)N2Cc3cccnc3)O)C(=O)c4ccncc4
InChi [?]:
InChI=1/C24H21N3O4/c1-2-31-19-7-5-17(6-8-19)21-20(22(28)18-9-12-25-13-10-18)23(29)24(30)27(21)15-16-4-3-11-26-14-16/h3-14,21,29H,2,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,19,18,6,8,5,9,27,31,20,28,30,22,16,17,7,26,4,11,10,24,12,13,29,21,15,25,23,14,3/E:(5,6)(7,8)(9,10)(12,13)/rA:31cCCOCCCCCCCCCCONCCCCCNCOCOCCCNCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d13;s10s13;s15;s16;s17;d18;s19;d20;d17s21;s12;s11;d24;s24;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21N3O4 |
All Atoms: | 52 |
Heavy Atoms: | 31 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.57404 |
Area: | 641.95 |
Solvation: | -6.47471 |
Coulombic: | -58.35 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.74 |
LogP (Chemaxon): | None |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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