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Chemical ID: 7459472
Chemical ID:
7459472
Name [?]:
5-(4-dimethylaminophenyl)-4-[hydroxy-(p-tolyl)methylene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
SMILES [?]:
Cc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCCOC)c3ccc(cc3)N(C)C)O
InChi [?]:
InChI=1/C24H28N2O4/c1-16-6-8-18(9-7-16)22(27)20-21(17-10-12-19(13-11-17)25(2)3)26(14-5-15-30-4)24(29)23(20)28/h6-13,21,27H,5,14-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,29,20,17,3,7,4,6,22,26,23,25,16,18,2,21,5,24,9,10,8,14,12,27,11,30,15,13,19/E:(2,3)(6,7)(8,9)(10,11)(12,13)/rA:30cCCCCCCCCCCNCOCOCCCOCCCCCCCNCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;s11;d12;s9s12;d14;s11;s16;s17;s18;s19;s10;s21;d22;s23;d24;d21s25;s24;s27;s27;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H28N2O4 |
All Atoms: | 58 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.89191 |
Area: | 622.423 |
Solvation: | -5.66866 |
Coulombic: | -58.3042 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 408.49 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.37 |
LogP (Chemaxon): | 2.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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