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Chemical ID: 5182400
Chemical ID:
5182400
Name [?]:
5-(2,4-dimethoxyphenyl)-3-hydroxy-4-(4-methylbenzoyl)-1,5-dihydropyrrol-2-one
SMILES [?]:
Cc1ccc(cc1)C(=O)C2=C(C(=O)NC2c3ccc(cc3OC)OC)O
InChi [?]:
InChI=1/C20H19NO5/c1-11-4-6-12(7-5-11)18(22)16-17(21-20(24)19(16)23)14-9-8-13(25-2)10-15(14)26-3/h4-10,17,23H,1-3H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,25,23,3,7,4,6,18,17,20,2,5,19,16,21,10,15,8,11,12,14,9,26,13,24,22/E:(4,5)(6,7)/rA:26cCCCCCCCCOCCCONCCCCCCCOCOCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;d17;s18;d19;d16s20;s21;s22;s19;s24;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19NO5 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.13612 |
Area: | 536.481 |
Solvation: | -5.27591 |
Coulombic: | -62.3609 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 353.369 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.32 |
LogP (Chemaxon): | 1.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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