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Chemical ID: 7453253
Chemical ID:
7453253
Name [?]:
4-[(4-allyloxyphenyl)-hydroxy-methylene]-5-(4-hydroxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione
SMILES [?]:
COCCCN1C(C(=C(c2ccc(cc2)OCC=C)O)C(=O)C1=O)c3ccc(cc3)O
InChi [?]:
InChI=1/C24H25NO6/c1-3-14-31-19-11-7-17(8-12-19)22(27)20-21(16-5-9-18(26)10-6-16)25(13-4-15-30-2)24(29)23(20)28/h3,5-12,21,26-27H,1,4,13-15H2,2H3
InChi Info:
AuxInfo=1/0/N:19,1,18,4,26,30,11,15,27,29,12,14,5,17,3,25,10,28,13,8,7,9,21,23,6,31,20,22,24,2,16/E:(5,6)(7,8)(9,10)(11,12)/rA:31cCOCCCNCCCCCCCCCOCCCOCOCOCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;w8;s9;s10;d11;s12;d13;d10s14;s13;s16;s17;d18;s9;s8;d21;s6s21;d23;s7;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25NO6 |
All Atoms: | 56 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.51781 |
Area: | 643.354 |
Solvation: | -7.56605 |
Coulombic: | -76.0556 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 423.458 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.85 |
LogP (Chemaxon): | 1.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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