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Chemical ID: 7459935
Chemical ID:
7459935
Name [?]:
4-[(4-allyloxyphenyl)-hydroxy-methylene]-1-(3-methoxypropyl)-5-(3-pyridyl)pyrrolidine-2,3-dione
SMILES [?]:
COCCCN1C(C(=C(c2ccc(cc2)OCC=C)O)C(=O)C1=O)c3cccnc3
InChi [?]:
InChI=1/C23H24N2O5/c1-3-13-30-18-9-7-16(8-10-18)21(26)19-20(17-6-4-11-24-15-17)25(12-5-14-29-2)23(28)22(19)27/h3-4,6-11,15,20,26H,1,5,12-14H2,2H3
InChi Info:
AuxInfo=1/0/N:19,1,18,27,4,26,11,15,12,14,28,5,17,3,30,10,25,13,8,7,9,21,23,29,6,20,22,24,2,16/E:(7,8)(9,10)/rA:30cCOCCCNCCCCCCCCCOCCCOCOCOCCCCNC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24N2O5 |
All Atoms: | 54 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.19801 |
Area: | 624.945 |
Solvation: | -7.4256 |
Coulombic: | -63.5879 |
Bond Count [?]
All: | 32 |
Single: | 22 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 408.447 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.0 |
LogP (Chemaxon): | 0.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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