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Chemical ID: 4564808

COCCCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)OC)c3cccc(c3)OC

Chemical ID:

4564808

Name [?]:

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

SMILES [?]:

COCCCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)OC)c3cccc(c3)OC

InChi [?]:

InChI=1/C23H25NO6/c1-28-13-5-12-24-20(16-6-4-7-18(14-16)30-3)19(22(26)23(24)27)21(25)15-8-10-17(29-2)11-9-15/h4,6-11,14,20,26H,5,12-13H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,22,30,25,4,24,26,16,20,17,19,5,3,28,15,23,18,27,8,7,13,9,10,6,14,12,11,2,21,29/E:(8,9)(10,11)/rA:30cCOCCCNCCCCOOCOCCCCCCOCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s6s9;d10;s9;s8;d13;s13;s15;d16;s17;d18;d15s19;s18;s21;s7;s23;d24;s25;d26;d23s27;s27;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	8.15632
Area:	641.982
Solvation:	-7.89324
Coulombic:	-64.7218

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	9
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	411.448
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	3.2
LogP (Chemaxon):	1.61

Name Annotations

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

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