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Chemical ID: 7060429

c1ccc(cc1)CCN2C(C(=C(C2=O)O)C(=O)c3ccncc3)c4cccnc4

Chemical ID:

7060429

Name [?]:

3-hydroxy-1-phenethyl-5-(3-pyridyl)-4-(4-pyridylcarbonyl)-5H-pyrrol-2-one

SMILES [?]:

c1ccc(cc1)CCN2C(C(=C(C2=O)O)C(=O)c3ccncc3)c4cccnc4

InChi [?]:

InChI=1/C23H19N3O3/c27-21(17-8-12-24-13-9-17)19-20(18-7-4-11-25-15-18)26(23(29)22(19)28)14-10-16-5-2-1-3-6-16/h1-9,11-13,15,20,28H,10,14H2

InChi Info:

AuxInfo=1/0/N:1,2,6,26,3,5,25,19,23,7,27,20,22,8,29,4,18,24,11,10,16,12,13,21,28,9,17,15,14/E:(2,3)(5,6)(8,9)(12,13)/rA:29cCCCCCCCCNCCCCOOCOCCCNCCCCCCNC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s9s12;d13;s12;s11;d16;s16;s18;d19;s20;d21;d18s22;s10;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₉N₃O₃
All Atoms:	48
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	9.65944
Area:	597.891
Solvation:	-5.28783
Coulombic:	-51.8038

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.56
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