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Chemical ID: 7183026

Cc1cc(ccc1OC)C(=C2C(N(C(=O)C2=O)CCOC)c3cccc(c3)Oc4ccccc4)O

Chemical ID:

7183026

Name [?]:

4-[hydroxy-(4-methoxy-3-methyl-phenyl)-methylene]-1-(2-methoxyethyl)-5-(3-phenoxyphenyl)-pyrrolidine-2,3-dione

SMILES [?]:

Cc1cc(ccc1OC)C(=C2C(N(C(=O)C2=O)CCOC)c3cccc(c3)Oc4ccccc4)O

InChi [?]:

InChI=1/C28H27NO6/c1-18-16-20(12-13-23(18)34-3)26(30)24-25(29(14-15-33-2)28(32)27(24)31)19-8-7-11-22(17-19)35-21-9-5-4-6-10-21/h4-13,16-17,25,30H,14-15H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,21,9,32,31,33,24,23,30,34,25,5,6,18,19,3,27,2,22,4,29,26,7,11,12,10,16,14,13,35,17,15,20,8,28/E:(5,6)(9,10)/rA:35cCCCCCCCOCCCCNCOCOCCOCCCCCCCOCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;w10;s11;s12;s13;d14;s11s14;d16;s13;s18;s19;s20;s12;s22;d23;s24;d25;d22s26;s26;s28;s29;d30;s31;d32;d29s33;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₇NO₆
All Atoms:	62
Heavy Atoms:	35
Chiral Atoms:	None

ZAP Information [?]

Total:	9.53723
Area:	703.672
Solvation:	-8.05458
Coulombic:	-65.9711

Bond Count [?]

All:	38
Single:	26
Double:	12
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.99
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