Chemical ID: 7451254

CCOc1cc(ccc1O)C2C(=C(c3ccc(cc3)Cl)O)C(=O)C(=O)N2Cc4ccco4
Chemical ID:
7451254
Name [?]:
4-[(4-chlorophenyl)-hydroxy-methylene]-5-(3-ethoxy-4-hydroxy-phenyl)-1-(2-furylmethyl)pyrrolidine-2,3-dione
SMILES [?]:
CCOc1cc(ccc1O)C2C(=C(c3ccc(cc3)Cl)O)C(=O)C(=O)N2Cc4ccco4
InChi [?]:
InChI=1/C24H20ClNO6/c1-2-31-19-12-15(7-10-18(19)27)21-20(22(28)14-5-8-16(25)9-6-14)23(29)24(30)26(21)13-17-4-3-11-32-17/h3-12,21,27-28H,2,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,30,29,15,19,7,16,18,8,31,5,27,14,6,17,28,9,4,12,11,13,22,24,20,26,10,21,23,25,3,32/E:(5,6)(8,9)/rA:32cCCOCCCCCCOCCCCCCCCCClOCOCONCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;s11;w12;s13;s14;d15;s16;d17;d14s18;s17;s13;s12;d22;s22;d24;s11s24;s26;s27;d28;s29;d30;s28s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H20ClNO6
All Atoms:52
Heavy Atoms:32
Chiral Atoms:None
ZAP Information [?]
Total:8.37921
Area:647.086
Solvation:-7.79794
Coulombic:-73.4135
Bond Count [?]
All:35
Single:24
Double:11
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.52
LogP (Chemaxon):None

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