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Chemical ID: 5666256
Chemical ID:
5666256
Name [?]:
4-[hydroxy-(4-methoxyphenyl)-methylene]-1-(3-methoxypropyl)-5-(3,4,5-trimethoxyphenyl)-pyrrolidine-2,3-dione
SMILES [?]:
COCCCN1C(C(=C(c2ccc(cc2)OC)O)C(=O)C1=O)c3cc(c(c(c3)OC)OC)OC
InChi [?]:
InChI=1/C25H29NO8/c1-30-12-6-11-26-21(16-13-18(32-3)24(34-5)19(14-16)33-4)20(23(28)25(26)29)22(27)15-7-9-17(31-2)10-8-15/h7-10,13-14,21,27H,6,11-12H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,17,30,34,32,4,11,15,12,14,5,3,28,24,10,23,13,27,25,8,7,9,19,26,21,6,18,20,22,2,16,29,33,31/E:(3,4)(7,8)(9,10)(13,14)(18,19)(32,33)/rA:34cCOCCCNCCCCCCCCCOCOCOCOCCCCCCOCOCOC/rB:s1;s2;s3;s4;s5;s6;s7;w8;s9;s10;d11;s12;d13;d10s14;s13;s16;s9;s8;d19;s6s19;d21;s7;s23;d24;s25;d26;d23s27;s27;s29;s26;s31;s25;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H29NO8 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.99721 |
Area: | 651.51 |
Solvation: | -11.2905 |
Coulombic: | -78.3526 |
Bond Count [?]
All: | 36 |
Single: | 27 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 471.5 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 9 |
XLogP: | 1.98 |
LogP (Chemaxon): | 0.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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