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Chemical ID: 7060768

COc1ccc(cc1)C2C(=C(C(=O)N2Cc3ccccc3)O)C(=O)c4ccncc4

Chemical ID:

7060768

Name [?]:

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

SMILES [?]:

COc1ccc(cc1)C2C(=C(C(=O)N2Cc3ccccc3)O)C(=O)c4ccncc4

InChi [?]:

InChI=1/C24H20N2O4/c1-30-19-9-7-17(8-10-19)21-20(22(27)18-11-13-25-14-12-18)23(28)24(29)26(21)15-16-5-3-2-4-6-16/h2-14,21,28H,15H2,1H3

InChi Info:

AuxInfo=1/0/N:1,19,18,20,17,21,5,7,4,8,26,30,27,29,15,16,6,25,3,10,9,23,11,12,28,14,24,22,13,2/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:30cCOCCCCCCCCCCONCCCCCCCOCOCCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s9s12;s14;s15;s16;d17;s18;d19;d16s20;s11;s10;d23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₀N₂O₄
All Atoms:	50
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	9.42159
Area:	615.065
Solvation:	-5.95503
Coulombic:	-55.321

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.57
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