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Chemical ID: 7060236

COc1ccc(cc1OC)C2C(=C(C(=O)N2Cc3cccnc3)O)C(=O)c4ccncc4

Chemical ID:

7060236

Name [?]:

5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-pyridylcarbonyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one

SMILES [?]:

COc1ccc(cc1OC)C2C(=C(C(=O)N2Cc3cccnc3)O)C(=O)c4ccncc4

InChi [?]:

InChI=1/C24H21N3O5/c1-31-18-6-5-17(12-19(18)32-2)21-20(22(28)16-7-10-25-11-8-16)23(29)24(30)27(21)14-15-4-3-9-26-13-15/h3-13,21,29H,14H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,10,20,19,5,4,28,32,21,29,31,7,23,17,18,27,6,3,8,12,11,25,13,14,30,22,16,26,24,15,2,9/E:(7,8)(10,11)/rA:32cCOCCCCCCOCCCCCONCCCCCNCOCOCCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;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:	7.27538
Area:	642.551
Solvation:	-8.78839
Coulombic:	-63.9299

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:	1.97
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