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Chemical ID: 7060582

c1ccc(cc1)CN2C(C(=C(C2=O)O)C(=O)c3ccncc3)c4ccc(cc4)OCc5ccccc5

Chemical ID:

7060582

Name [?]:

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

SMILES [?]:

c1ccc(cc1)CN2C(C(=C(C2=O)O)C(=O)c3ccncc3)c4ccc(cc4)OCc5ccccc5

InChi [?]:

InChI=1/C30H24N2O4/c33-28(24-15-17-31-18-16-24)26-27(32(30(35)29(26)34)19-21-7-3-1-4-8-21)23-11-13-25(14-12-23)36-20-22-9-5-2-6-10-22/h1-18,27,34H,19-20H2

InChi Info:

AuxInfo=1/0/N:1,34,2,6,33,35,3,5,32,36,24,28,25,27,18,22,19,21,7,30,4,31,23,17,26,10,9,15,11,12,20,8,16,14,13,29/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:36cCCCCCCCNCCCCOOCOCCCNCCCCCCCCOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s8s11;d12;s11;s10;d15;s15;s17;d18;s19;d20;d17s21;s9;s23;d24;s25;d26;d23s27;s26;s29;s30;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₂₄N₂O₄
All Atoms:	60
Heavy Atoms:	36
Chiral Atoms:	None

ZAP Information [?]

Total:	10.9451
Area:	691.359
Solvation:	-6.33883
Coulombic:	-57.2695

Bond Count [?]

All:	40
Single:	25
Double:	15
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.28
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