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Chemical ID: 4646285

COCCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)OC)c3cccc(c3)OC

Chemical ID:

4646285

Name [?]:

3-hydroxy-4-(4-methoxybenzoyl)-1-(2-methoxyethyl)-5-(3-methoxyphenyl)-5H-pyrrol-2-one

SMILES [?]:

COCCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)OC)c3cccc(c3)OC

InChi [?]:

InChI=1/C22H23NO6/c1-27-12-11-23-19(15-5-4-6-17(13-15)29-3)18(21(25)22(23)26)20(24)14-7-9-16(28-2)10-8-14/h4-10,13,19,25H,11-12H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,21,29,24,23,25,15,19,16,18,4,3,27,14,22,17,26,7,6,12,8,9,5,13,11,10,2,20,28/E:(7,8)(9,10)/rA:29cCOCCNCCCCOOCOCCCCCCOCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s5s8;d9;s8;s7;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;s6;s22;d23;s24;d25;d22s26;s26;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₃NO₆
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	1

ZAP Information [?]

Total:	7.52563
Area:	587.417
Solvation:	-7.15979
Coulombic:	-64.3871

Bond Count [?]

All:	31
Single:	22
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	397.421
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	2.84
LogP (Chemaxon):	1.55

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value