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Chemical ID: 7060521

CCCCOc1ccc(cc1)C2C(=C(C(=O)N2CCc3ccccc3)O)C(=O)c4ccncc4

Chemical ID:

7060521

Name [?]:

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

SMILES [?]:

CCCCOc1ccc(cc1)C2C(=C(C(=O)N2CCc3ccccc3)O)C(=O)c4ccncc4

InChi [?]:

InChI=1/C28H28N2O4/c1-2-3-19-34-23-11-9-21(10-12-23)25-24(26(31)22-13-16-29-17-14-22)27(32)28(33)30(25)18-15-20-7-5-4-6-8-20/h4-14,16-17,25,32H,2-3,15,18-19H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,3,23,22,24,21,25,8,10,7,11,30,34,19,31,33,18,4,20,9,29,6,13,12,27,14,15,32,17,28,26,16,5/E:(5,6)(7,8)(9,10)(11,12)(13,14)(16,17)/rA:34cCCCCOCCCCCCCCCCONCCCCCCCCOCOCCCNCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;d13;s14;d15;s12s15;s17;s18;s19;s20;d21;s22;d23;d20s24;s14;s13;d27;s27;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₈N₂O₄
All Atoms:	62
Heavy Atoms:	34
Chiral Atoms:	None

ZAP Information [?]

Total:	12.4147
Area:	734.472
Solvation:	-5.94711
Coulombic:	-56.3909

Bond Count [?]

All:	37
Single:	25
Double:	12
Rotors:	10
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.08
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

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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