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Chemical ID: 7035882
Chemical ID:
7035882
Name [?]:
5-(3-ethoxyphenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1cccc(c1)C2C(=C(C(=O)N2Cc3cccnc3)O)C(=O)c4ccc(cc4)OC
InChi [?]:
InChI=1/C26H24N2O5/c1-3-33-21-8-4-7-19(14-21)23-22(24(29)18-9-11-20(32-2)12-10-18)25(30)26(31)28(23)16-17-6-5-13-27-15-17/h4-15,23,30H,3,16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,33,2,6,19,18,7,5,27,31,28,30,20,9,22,16,17,26,8,29,4,11,10,24,12,13,21,15,25,23,14,32,3/E:(9,10)(11,12)/rA:33cCCOCCCCCCCCCCONCCCCCNCOCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;d11;s12;d13;s10s13;s15;s16;s17;d18;s19;d20;d17s21;s12;s11;d24;s24;s26;d27;s28;d29;d26s30;s29;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H24N2O5 |
All Atoms: | 57 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.0209 |
Area: | 678.211 |
Solvation: | -6.93437 |
Coulombic: | -62.2125 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 444.479 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.91 |
LogP (Chemaxon): | 2.04 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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