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Chemical ID: 4822877
Chemical ID:
4822877
Name [?]:
5-(4-ethoxy-3-methoxy-phenyl)-3-hydroxy-4-(4-methoxy-2-methyl-benzoyl)-1-(3-methoxypropyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCCOC)O)C(=O)c3ccc(cc3C)OC
InChi [?]:
InChI=1/C26H31NO7/c1-6-34-20-11-8-17(15-21(20)33-5)23-22(25(29)26(30)27(23)12-7-13-31-3)24(28)19-10-9-18(32-4)14-16(19)2/h8-11,14-15,23,29H,6-7,12-13H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,32,22,34,11,2,19,6,28,27,5,18,20,30,8,31,7,29,26,4,9,13,12,24,14,15,17,25,23,16,21,33,10,3/rA:34cCCOCCCCCCOCCCCCONCCCOCOCOCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;s12;d13;s14;d15;s12s15;s17;s18;s19;s20;s21;s14;s13;d24;s24;s26;d27;s28;d29;d26s30;s31;s29;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H31NO7 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.32387 |
Area: | 709.485 |
Solvation: | -9.41326 |
Coulombic: | -71.6019 |
Bond Count [?]
All: | 36 |
Single: | 27 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 469.527 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 3.7 |
LogP (Chemaxon): | 2.16 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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