Chemical ID: 7183435

COCCN1C(C(C(=O)C1=O)C(=O)c2ccc(cc2)OC)c3ccc(c(c3)OC)OC
Chemical ID:
7183435
Name [?]:
5-(3,4-dimethoxyphenyl)-4-(4-methoxybenzoyl)-1-(2-methoxyethyl)pyrrolidine-2,3-dione
SMILES [?]:
COCCN1C(C(C(=O)C1=O)C(=O)c2ccc(cc2)OC)c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C23H25NO7/c1-28-12-11-24-20(15-7-10-17(30-3)18(13-15)31-4)19(22(26)23(24)27)21(25)14-5-8-16(29-2)9-6-14/h5-10,13,19-20H,11-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,21,31,29,15,19,23,16,18,24,4,3,27,14,22,17,25,26,7,6,12,8,10,5,13,9,11,2,20,30,28/E:(5,6)(8,9)/rA:31cCOCCNCCCOCOCOCCCCCCOCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s5s8;d10;s7;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;s6;s22;d23;s24;d25;d22s26;s26;s28;s25;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25NO7
All Atoms:56
Heavy Atoms:31
Chiral Atoms:2
ZAP Information [?]
Total:5.60503
Area:654.998
Solvation:-10.7699
Coulombic:-60.7742
Bond Count [?]
All:33
Single:24
Double:9
Rotors:9
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:427.447
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:1.29
LogP (Chemaxon):2.07

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Experimental Annotations

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Descriptor Annotations

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