Chemical ID: 5678965

Cc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCOC)c3ccc(cc3)C(C)(C)C)O
Chemical ID:
5678965
Name [?]:
4-[hydroxy-(p-tolyl)methylene]-1-(2-methoxyethyl)-5-(4-tert-butylphenyl)-pyrrolidine-2,3-dione
SMILES [?]:
Cc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCOC)c3ccc(cc3)C(C)(C)C)O
InChi [?]:
InChI=1/C25H29NO4/c1-16-6-8-18(9-7-16)22(27)20-21(26(14-15-30-5)24(29)23(20)28)17-10-12-19(13-11-17)25(2,3)4/h6-13,21,27H,14-15H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,27,28,29,19,3,7,4,6,21,25,22,24,16,17,2,20,5,23,9,10,8,14,12,26,11,30,15,13,18/E:(2,3,4)(6,7)(8,9)(10,11)(12,13)/rA:30cCCCCCCCCCCNCOCOCCOCCCCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;s11;d12;s9s12;d14;s11;s16;s17;s18;s10;s20;d21;s22;d23;d20s24;s23;s26;s26;s26;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H29NO4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:9.60567
Area:596.494
Solvation:-5.30669
Coulombic:-53.1184
Bond Count [?]
All:32
Single:23
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:407.502
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.62
LogP (Chemaxon):3.7

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue