Chemical ID: 4885750

CCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)O)CCOCCO)O
Chemical ID:
4885750
Name [?]:
4-(4-ethoxybenzoyl)-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5-(3-hydroxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)O)CCOCCO)O
InChi [?]:
InChI=1/C23H25NO7/c1-2-31-18-8-6-15(7-9-18)21(27)19-20(16-4-3-5-17(26)14-16)24(23(29)22(19)28)10-12-30-13-11-25/h3-9,14,20,25-26,28H,2,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,20,19,21,6,8,5,9,25,29,26,28,23,7,18,22,4,12,17,10,13,14,16,30,24,11,31,15,27,3/E:(6,7)(8,9)/rA:31cCCOCCCCCCCOCCCONCCCCCCCOCCOCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s22;s16;s25;s26;s27;s28;s29;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25NO7
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:8.03325
Area:654.094
Solvation:-8.31911
Coulombic:-90.1585
Bond Count [?]
All:33
Single:24
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:427.447
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:2.23
LogP (Chemaxon):1.42

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Descriptor Annotations

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