Chemical ID: 5687297

COCCCN1C(C(=C(c2ccc(cc2)OC)O)C(=O)C1=O)c3ccc(c(c3)Cl)Cl
Chemical ID:
5687297
Name [?]:
5-(3,4-dichlorophenyl)-4-[hydroxy-(4-methoxyphenyl)-methylene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
SMILES [?]:
COCCCN1C(C(=C(c2ccc(cc2)OC)O)C(=O)C1=O)c3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C22H21Cl2NO5/c1-29-11-3-10-25-19(14-6-9-16(23)17(24)12-14)18(21(27)22(25)28)20(26)13-4-7-15(30-2)8-5-13/h4-9,12,19,26H,3,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,4,11,15,24,12,14,25,5,3,28,10,23,13,26,27,8,7,9,19,21,30,29,6,18,20,22,2,16/E:(4,5)(7,8)/rA:30cCOCCCNCCCCCCCCCOCOCOCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;w8;s9;s10;d11;s12;d13;d10s14;s13;s16;s9;s8;d19;s6s19;d21;s7;s23;d24;s25;d26;d23s27;s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21Cl2NO5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:8.88303
Area:620.76
Solvation:-6.63597
Coulombic:-59.3859
Bond Count [?]
All:32
Single:23
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:450.311
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.88
LogP (Chemaxon):2.44

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Descriptor Annotations

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