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Chemical ID: 5666460

CCOc1cc(ccc1O)C2C(=C(c3ccc(cc3)C)O)C(=O)C(=O)N2CCOC

Chemical ID:

5666460

Name [?]:

5-(3-ethoxy-4-hydroxy-phenyl)-4-[hydroxy-(p-tolyl)methylene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione

SMILES [?]:

CCOc1cc(ccc1O)C2C(=C(c3ccc(cc3)C)O)C(=O)C(=O)N2CCOC

InChi [?]:

InChI=1/C23H25NO6/c1-4-30-18-13-16(9-10-17(18)25)20-19(21(26)15-7-5-14(2)6-8-15)22(27)23(28)24(20)11-12-29-3/h5-10,13,20,25-26H,4,11-12H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,20,30,2,16,18,15,19,7,8,27,28,5,17,14,6,9,4,12,11,13,22,24,26,10,21,23,25,29,3/E:(5,6)(7,8)/rA:30cCCOCCCCCCOCCCCCCCCCCOCOCONCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;s11;w12;s13;s14;d15;s16;d17;d14s18;s17;s13;s12;d22;s22;d24;s11s24;s26;s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₅NO₆
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	8.63043
Area:	612.323
Solvation:	-6.67764
Coulombic:	-75.6128

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	411.448
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	2.73
LogP (Chemaxon):	1.88

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