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Chemical ID: 7060550

C=CCOc1ccc(cc1)C2C(=C(C(=O)N2Cc3ccccc3)O)C(=O)c4ccncc4

Chemical ID:

7060550

Name [?]:

5-(4-allyloxyphenyl)-1-benzyl-3-hydroxy-4-(4-pyridylcarbonyl)-5H-pyrrol-2-one

SMILES [?]:

C=CCOc1ccc(cc1)C2C(=C(C(=O)N2Cc3ccccc3)O)C(=O)c4ccncc4

InChi [?]:

InChI=1/C26H22N2O4/c1-2-16-32-21-10-8-19(9-11-21)23-22(24(29)20-12-14-27-15-13-20)25(30)26(31)28(23)17-18-6-4-3-5-7-18/h2-15,23,30H,1,16-17H2

InChi Info:

AuxInfo=1/0/N:1,2,21,20,22,19,23,7,9,6,10,28,32,29,31,3,17,18,8,27,5,12,11,25,13,14,30,16,26,24,15,4/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:32cCCCOCCCCCCCCCCONCCCCCCCOCOCCCNCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;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:	C₂₆H₂₂N₂O₄
All Atoms:	54
Heavy Atoms:	32
Chiral Atoms:	None

ZAP Information [?]

Total:	9.78702
Area:	629.328
Solvation:	-5.94619
Coulombic:	-57.1333

Bond Count [?]

All:	35
Single:	22
Double:	13
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.19
LogP (Chemaxon):	None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value