Chemical ID: 7437537

CCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCOCCO)c3cccc(c3)Br)O
Chemical ID:
7437537
Name [?]:
5-(3-bromophenyl)-4-[(4-ethoxyphenyl)-hydroxy-methylene]-1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2,3-dione
SMILES [?]:
CCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCOCCO)c3cccc(c3)Br)O
InChi [?]:
InChI=1/C23H24BrNO6/c1-2-31-18-8-6-15(7-9-18)21(27)19-20(16-4-3-5-17(24)14-16)25(23(29)22(19)28)10-12-30-13-11-26/h3-9,14,20,26-27H,2,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,26,25,27,6,8,5,9,18,22,19,21,29,7,24,28,4,11,12,10,16,14,30,13,23,31,17,15,20,3/E:(6,7)(8,9)/rA:31cCCOCCCCCCCCCNCOCOCCOCCOCCCCCCBrO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;s13;d14;s11s14;d16;s13;s18;s19;s20;s21;s22;s12;s24;d25;s26;d27;d24s28;s28;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24BrNO6
All Atoms:55
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:7.03817
Area:618.437
Solvation:-8.42275
Coulombic:-74.3855
Bond Count [?]
All:33
Single:24
Double:9
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:490.344
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.79
LogP (Chemaxon):2.05

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Descriptor Annotations

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