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Chemical ID: 7176128
Chemical ID:
7176128
Name [?]:
5-(3,4-dimethoxyphenyl)-4-[hydroxy-(4-methoxyphenyl)-methylene]-1-(3-pyridylmethyl)pyrrolidine-2,3-dione
SMILES [?]:
COc1ccc(cc1)C(=C2C(N(C(=O)C2=O)Cc3cccnc3)c4ccc(c(c4)OC)OC)O
InChi [?]:
InChI=1/C26H24N2O6/c1-32-19-9-6-17(7-10-19)24(29)22-23(18-8-11-20(33-2)21(13-18)34-3)28(26(31)25(22)30)15-16-5-4-12-27-14-16/h4-14,23,29H,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,33,31,20,19,5,7,25,4,8,26,21,29,23,17,18,6,24,3,27,28,10,11,9,15,13,22,12,34,16,14,2,32,30/E:(6,7)(9,10)/rA:34cCOCCCCCCCCCNCOCOCCCCCNCCCCCCCOCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;s12;d13;s10s13;d15;s12;s17;s18;d19;s20;d21;d18s22;s11;s24;d25;s26;d27;d24s28;s28;s30;s27;s32;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H24N2O6 |
All Atoms: | 58 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.89908 |
Area: | 654.954 |
Solvation: | -9.47479 |
Coulombic: | -68.5372 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 460.479 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.49 |
LogP (Chemaxon): | 1.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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