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Chemical ID: 4825920
Chemical ID:
4825920
Name [?]:
4-(4-ethoxybenzoyl)-5-(4-ethoxy-3-methoxy-phenyl)-3-hydroxy-1-(2-methoxyethyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)OCC)CCOC)O
InChi [?]:
InChI=1/C25H29NO7/c1-5-32-18-10-7-16(8-11-18)23(27)21-22(26(13-14-30-3)25(29)24(21)28)17-9-12-19(33-6-2)20(15-17)31-4/h7-12,15,22,28H,5-6,13-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,32,25,2,27,6,8,19,5,9,20,29,30,23,7,18,4,21,22,12,17,10,13,14,16,11,33,15,31,24,3,26/E:(7,8)(10,11)/rA:33cCCOCCCCCCCOCCCONCCCCCCCOCOCCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s27;s16;s29;s30;s31;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H29NO7 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.27933 |
Area: | 697.295 |
Solvation: | -9.15303 |
Coulombic: | -71.8156 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 455.5 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 3.33 |
LogP (Chemaxon): | 1.99 |
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
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