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Chemical ID: 7183433

Cc1cc(ccc1OC)C(=O)C2C(N(C(=O)C2=O)CCCOC)c3ccc(cc3)O

Chemical ID:

7183433

Name [?]:

5-(4-hydroxyphenyl)-4-(4-methoxy-3-methyl-benzoyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione

SMILES [?]:

Cc1cc(ccc1OC)C(=O)C2C(N(C(=O)C2=O)CCCOC)c3ccc(cc3)O

InChi [?]:

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

InChi Info:

AuxInfo=1/0/N:1,23,9,20,25,29,5,26,28,6,19,21,3,2,24,4,27,7,12,13,10,17,15,14,30,11,18,16,22,8/E:(5,6)(8,9)/rA:30cCCCCCCCOCCOCCNCOCOCCCOCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;d10;s10;s12;s13;s14;d15;s12s15;d17;s14;s19;s20;s21;s22;s13;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₅NO₆
All Atoms:	55
Heavy Atoms:	30
Chiral Atoms:	2

ZAP Information [?]

Total:	8.65794
Area:	655.722
Solvation:	-7.73511
Coulombic:	-64.215

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	411.448
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	1.91
LogP (Chemaxon):	2.81

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