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Chemical ID: 7191202
Chemical ID:
7191202
Name [?]:
4-[hydroxy-(4-methoxy-3-methyl-phenyl)-methylene]-1-(3-methoxypropyl)-5-(p-tolyl)pyrrolidine-2,3-dione
SMILES [?]:
Cc1ccc(cc1)C2C(=C(c3ccc(c(c3)C)OC)O)C(=O)C(=O)N2CCCOC
InChi [?]:
InChI=1/C24H27NO5/c1-15-6-8-17(9-7-15)21-20(23(27)24(28)25(21)12-5-13-29-3)22(26)18-10-11-19(30-4)16(2)14-18/h6-11,14,21,26H,5,12-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,17,30,19,27,3,7,4,6,12,13,26,28,16,2,15,5,11,14,9,8,10,21,23,25,20,22,24,29,18/E:(6,7)(8,9)/rA:30cCCCCCCCCCCCCCCCCCOCOCOCONCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;w9;s10;s11;d12;s13;d14;d11s15;s15;s14;s18;s10;s9;d21;s21;d23;s8s23;s25;s26;s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27NO5 |
All Atoms: | 57 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.22183 |
Area: | 617.045 |
Solvation: | -6.20429 |
Coulombic: | -59.3086 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 409.475 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.3 |
LogP (Chemaxon): | 2.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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