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Chemical ID: 7184556
Chemical ID:
7184556
Name [?]:
4-[hydroxy-(4-methoxy-3-methyl-phenyl)-methylene]-1-(3-methoxypropyl)-5-phenyl-pyrrolidine-2,3-dione
SMILES [?]:
Cc1cc(ccc1OC)C(=C2C(N(C(=O)C2=O)CCCOC)c3ccccc3)O
InChi [?]:
InChI=1/C23H25NO5/c1-15-14-17(10-11-18(15)29-3)21(25)19-20(16-8-5-4-6-9-16)24(12-7-13-28-2)23(27)22(19)26/h4-6,8-11,14,20,25H,7,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,9,26,25,27,19,24,28,5,6,18,20,3,2,23,4,7,11,12,10,16,14,13,29,17,15,21,8/E:(5,6)(8,9)/rA:29cCCCCCCCOCCCCNCOCOCCCOCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;w10;s11;s12;s13;d14;s11s14;d16;s13;s18;s19;s20;s21;s12;s23;d24;s25;d26;d23s27;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25NO5 |
All Atoms: | 54 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.86196 |
Area: | 609.216 |
Solvation: | -6.36844 |
Coulombic: | -59.4578 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 395.448 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.86 |
LogP (Chemaxon): | 1.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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