Chemical ID: 5690292

COCCN1C(C(=C(c2ccc(cc2)Cl)O)C(=O)C1=O)c3cccc(c3)OC
Chemical ID:
5690292
Name [?]:
4-[(4-chlorophenyl)-hydroxy-methylene]-1-(2-methoxyethyl)-5-(3-methoxyphenyl)-pyrrolidine-2,3-dione
SMILES [?]:
COCCN1C(C(=C(c2ccc(cc2)Cl)O)C(=O)C1=O)c3cccc(c3)OC
InChi [?]:
InChI=1/C21H20ClNO5/c1-27-11-10-23-18(14-4-3-5-16(12-14)28-2)17(20(25)21(23)26)19(24)13-6-8-15(22)9-7-13/h3-9,12,18,24H,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,23,22,24,10,14,11,13,4,3,26,9,21,12,25,7,6,8,17,19,15,5,16,18,20,2,27/E:(6,7)(8,9)/rA:28cCOCCNCCCCCCCCCClOCOCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;w7;s8;s9;d10;s11;d12;d9s13;s12;s8;s7;d17;s5s17;d19;s6;s21;d22;s23;d24;d21s25;s25;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20ClNO5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:8.10648
Area:548.66
Solvation:-5.61002
Coulombic:-59.2991
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:401.84
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.9
LogP (Chemaxon):1.87

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Descriptor Annotations

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