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Chemical ID: 7191149
Chemical ID:
7191149
Name [?]:
4-[hydroxy-(4-methoxy-3-methyl-phenyl)-methylene]-1-(3-methoxypropyl)-5-(4-tert-butylphenyl)-pyrrolidine-2,3-dione
SMILES [?]:
Cc1cc(ccc1OC)C(=C2C(N(C(=O)C2=O)CCCOC)c3ccc(cc3)C(C)(C)C)O
InChi [?]:
InChI=1/C27H33NO5/c1-17-16-19(10-13-21(17)33-6)24(29)22-23(18-8-11-20(12-9-18)27(2,3)4)28(14-7-15-32-5)26(31)25(22)30/h8-13,16,23,29H,7,14-15H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,30,31,32,22,9,19,24,28,5,25,27,6,18,20,3,2,23,4,26,7,11,12,10,16,14,29,13,33,17,15,21,8/E:(2,3,4)(8,9)(11,12)/rA:33cCCCCCCCOCCCCNCOCOCCCOCCCCCCCCCCCO/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;s26;s29;s29;s29;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H33NO5 |
All Atoms: | 66 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.0129 |
Area: | 705.199 |
Solvation: | -6.61705 |
Coulombic: | -59.4263 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 451.555 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.68 |
LogP (Chemaxon): | 3.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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