Chemical ID: 4402717

Cc1cc(ccc1OC)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)O)CCOC)O
Chemical ID:
4402717
Name [?]:
3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-1-(2-methoxyethyl)-4-(4-methoxy-3-methyl-benzoyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1cc(ccc1OC)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)O)CCOC)O
InChi [?]:
InChI=1/C23H25NO7/c1-13-11-15(6-8-17(13)30-3)21(26)19-20(14-5-7-16(25)18(12-14)31-4)24(9-10-29-2)23(28)22(19)27/h5-8,11-12,20,25,27H,9-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,30,9,25,19,5,20,6,27,28,3,23,2,18,4,21,7,22,12,17,10,13,14,16,26,11,31,15,29,8,24/rA:31cCCCCCCCOCCOCCCONCCCCCCCOCOCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s16;s27;s28;s29;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25NO7
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:7.33941
Area:641.04
Solvation:-8.68658
Coulombic:-80.1901
Bond Count [?]
All:33
Single:24
Double:9
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:427.447
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:2.66
LogP (Chemaxon):1.74

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Descriptor Annotations

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