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Chemical ID: 7023151

Cc1cc(ccc1C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OCC=C)CCN4CCOCC4)O)OC

Chemical ID:

7023151

Name [?]:

5-(4-allyloxyphenyl)-3-hydroxy-4-(4-methoxy-2-methyl-benzoyl)-1-(2-morpholinoethyl)-5H-pyrrol-2-one

SMILES [?]:

Cc1cc(ccc1C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OCC=C)CCN4CCOCC4)O)OC

InChi [?]:

InChI=1/C28H32N2O6/c1-4-15-36-21-7-5-20(6-8-21)25-24(26(31)23-10-9-22(34-3)18-19(23)2)27(32)28(33)30(25)12-11-29-13-16-35-17-14-29/h4-10,18,25,32H,1,11-17H2,2-3H3

InChi Info:

AuxInfo=1/0/N:25,1,36,24,17,21,18,20,5,6,27,26,29,33,23,30,32,3,2,16,19,4,7,10,15,8,11,12,28,14,9,34,13,35,31,22/E:(5,6)(7,8)(13,14)(16,17)/rA:36cCCCCCCCCOCCCONCCCCCCCOCCCCCNCCOCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s23;d24;s14;s26;s27;s28;s29;s30;s31;s28s32;s11;s4;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₂N₂O₆
All Atoms:	68
Heavy Atoms:	36
Chiral Atoms:	1

ZAP Information [?]

Total:	9.74009
Area:	721.273
Solvation:	-8.29174
Coulombic:	-71.4458

Bond Count [?]

All:	39
Single:	29
Double:	10
Rotors:	10
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	492.564
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	3.53
LogP (Chemaxon):	1.22

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