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Chemical ID: 7060668

COCCCN1C(C(=C(C1=O)O)C(=O)c2ccncc2)c3ccc(c(c3)OC)OCc4ccccc4

Chemical ID:

7060668

Name [?]:

5-(4-benzyloxy-3-methoxy-phenyl)-3-hydroxy-1-(3-methoxypropyl)-4-(4-pyridylcarbonyl)-5H-pyrrol-2-one

SMILES [?]:

COCCCN1C(C(=C(C1=O)O)C(=O)c2ccncc2)c3ccc(c(c3)OC)OCc4ccccc4

InChi [?]:

InChI=1/C28H28N2O6/c1-34-16-6-15-30-25(24(27(32)28(30)33)26(31)20-11-13-29-14-12-20)21-9-10-22(23(17-21)35-2)36-18-19-7-4-3-5-8-19/h3-5,7-14,17,25,32H,6,15-16,18H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,28,34,33,35,4,32,36,22,23,16,20,17,19,5,3,26,30,31,15,21,24,25,8,7,13,9,10,18,6,14,12,11,2,27,29/E:(4,5)(7,8)(11,12)(13,14)/rA:36cCOCCCNCCCCOOCOCCCNCCCCCCCCOCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s6s9;d10;s9;s8;d13;s13;s15;d16;s17;d18;d15s19;s7;s21;d22;s23;d24;d21s25;s25;s27;s24;s29;s30;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₈N₂O₆
All Atoms:	64
Heavy Atoms:	36
Chiral Atoms:	None

ZAP Information [?]

Total:	8.99984
Area:	762.1
Solvation:	-10.0527
Coulombic:	-68.8529

Bond Count [?]

All:	39
Single:	27
Double:	12
Rotors:	11
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.39
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value