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Chemical ID: 7183435
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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