Chemical ID: 7200472

CCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCCOC)c3ccc(cc3)C)O
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

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