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Chemical ID: 4813453
Chemical ID:
4813453
Name [?]:
3-hydroxy-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1,5-dihydropyrrol-2-one
SMILES [?]:
COc1ccc(cc1)C2C(=C(C(=O)N2)O)C(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C19H17NO5/c1-24-13-7-3-11(4-8-13)16-15(18(22)19(23)20-16)17(21)12-5-9-14(25-2)10-6-12/h3-10,16,22H,1-2H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,25,5,7,19,23,4,8,20,22,6,18,3,21,10,9,16,11,12,14,17,15,13,2,24/E:(3,4)(5,6)(7,8)(9,10)/rA:25cCOCCCCCCCCCCONOCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s9s12;s11;s10;d16;s16;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17NO5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.07461 |
Area: | 540.043 |
Solvation: | -6.42646 |
Coulombic: | -61.2019 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 339.342 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.89 |
LogP (Chemaxon): | 1.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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