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Chemical ID: 4658732
Chemical ID:
4658732
Name [?]:
5-(3-ethoxy-4-hydroxy-phenyl)-3-hydroxy-1-(2-methoxyethyl)-4-(4-methoxy-3-methyl-benzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1cc(ccc1O)C2C(=C(C(=O)N2CCOC)O)C(=O)c3ccc(c(c3)C)OC
InChi [?]:
InChI=1/C24H27NO7/c1-5-32-19-13-15(6-8-17(19)26)21-20(23(28)24(29)25(21)10-11-30-3)22(27)16-7-9-18(31-4)14(2)12-16/h6-9,12-13,21,26,28H,5,10-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,30,20,32,2,7,25,8,26,17,18,29,5,28,6,24,9,27,4,12,11,22,13,14,16,10,23,21,15,19,31,3/rA:32cCCOCCCCCCOCCCCONCCOCOCOCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;s11;d12;s13;d14;s11s14;s16;s17;s18;s19;s13;s12;d22;s22;s24;d25;s26;d27;d24s28;s28;s27;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27NO7 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.29983 |
Area: | 671.943 |
Solvation: | -8.49875 |
Coulombic: | -80.4921 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 441.474 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 3.08 |
LogP (Chemaxon): | 2.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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