Chemical ID: 7136313

COc1ccc(cc1)C(=C2C(N(C(=O)C2=O)Cc3ccncc3)c4ccc(c(c4)OC)OC)O
Chemical ID:
7136313
Name [?]:
5-(3,4-dimethoxyphenyl)-4-[hydroxy-(4-methoxyphenyl)-methylene]-1-(4-pyridylmethyl)pyrrolidine-2,3-dione
SMILES [?]:
COc1ccc(cc1)C(=C2C(N(C(=O)C2=O)Cc3ccncc3)c4ccc(c(c4)OC)OC)O
InChi [?]:
InChI=1/C26H24N2O6/c1-32-19-7-4-17(5-8-19)24(29)22-23(18-6-9-20(33-2)21(14-18)34-3)28(26(31)25(22)30)15-16-10-12-27-13-11-16/h4-14,23,29H,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,33,31,5,7,25,4,8,26,19,23,20,22,29,17,18,6,24,3,27,28,10,11,9,15,13,21,12,34,16,14,2,32,30/E:(4,5)(7,8)(10,11)(12,13)/rA:34cCOCCCCCCCCCNCOCOCCCCNCCCCCCCCOCOCO/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:5.98555
Area:608.081
Solvation:-9.21648
Coulombic:-68.4964
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):0.99

Name Annotations

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Descriptor Annotations

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