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Chemical ID: 7183412

COCCCN1C(C(C(=O)C1=O)C(=O)c2ccc(cc2)OC)c3cc(c(c(c3)OC)OC)OC

Chemical ID:

7183412

Name [?]:

4-(4-methoxybenzoyl)-1-(3-methoxypropyl)-5-(3,4,5-trimethoxyphenyl)-pyrrolidine-2,3-dione

SMILES [?]:

COCCCN1C(C(C(=O)C1=O)C(=O)c2ccc(cc2)OC)c3cc(c(c(c3)OC)OC)OC

InChi [?]:

InChI=1/C25H29NO8/c1-30-12-6-11-26-21(16-13-18(32-3)24(34-5)19(14-16)33-4)20(23(28)25(26)29)22(27)15-7-9-17(31-2)10-8-15/h7-10,13-14,20-21H,6,11-12H2,1-5H3

InChi Info:

AuxInfo=1/0/N:1,22,30,34,32,4,16,20,17,19,5,3,28,24,15,23,18,27,25,8,7,13,9,26,11,6,14,10,12,2,21,29,33,31/E:(3,4)(7,8)(9,10)(13,14)(18,19)(32,33)/rA:34cCOCCCNCCCOCOCOCCCCCCOCCCCCCCOCOCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s6s9;d11;s8;d13;s13;s15;d16;s17;d18;d15s19;s18;s21;s7;s23;d24;s25;d26;d23s27;s27;s29;s26;s31;s25;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₉NO₈
All Atoms:	63
Heavy Atoms:	34
Chiral Atoms:	2

ZAP Information [?]

Total:	5.76162
Area:	698.164
Solvation:	-11.6925
Coulombic:	-68.3514

Bond Count [?]

All:	36
Single:	27
Double:	9
Rotors:	11
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	471.5
H-Bond Donors:	0
H-Bond Acceptors:	9
XLogP:	1.43
LogP (Chemaxon):	1.87

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