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Chemical ID: 4402717
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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