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Chemical ID: 7200472
Chemical ID:
7200472
Name [?]:
4-[(4-ethoxyphenyl)-hydroxy-methylene]-1-(3-methoxypropyl)-5-(p-tolyl)pyrrolidine-2,3-dione
SMILES [?]:
CCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCCOC)c3ccc(cc3)C)O
InChi [?]:
InChI=1/C24H27NO5/c1-4-30-19-12-10-18(11-13-19)22(26)20-21(17-8-6-16(2)7-9-17)25(14-5-15-29-3)24(28)23(20)27/h6-13,21,26H,4-5,14-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,22,2,19,25,27,24,28,6,8,5,9,18,20,26,23,7,4,11,12,10,16,14,13,30,17,15,21,3/E:(6,7)(8,9)(10,11)(12,13)/rA:30cCCOCCCCCCCCCNCOCOCCCOCCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;s13;d14;s11s14;d16;s13;s18;s19;s20;s21;s12;s23;d24;s25;d26;d23s27;s26;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27NO5 |
All Atoms: | 57 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.71326 |
Area: | 641.389 |
Solvation: | -6.32148 |
Coulombic: | -59.5487 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 409.475 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.5 |
LogP (Chemaxon): | 2.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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