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Chemical ID: 7033786
Chemical ID:
7033786
Name [?]:
4-(4-ethoxybenzoyl)-5-(3-ethoxy-4-propoxy-phenyl)-3-hydroxy-1-(2-methoxyethyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(cc1OCC)C2C(=C(C(=O)N2CCOC)O)C(=O)c3ccc(cc3)OCC
InChi [?]:
InChI=1/C27H33NO7/c1-5-15-35-21-13-10-19(17-22(21)34-7-3)24-23(26(30)27(31)28(24)14-16-32-4)25(29)18-8-11-20(12-9-18)33-6-2/h8-13,17,24,30H,5-7,14-16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,35,13,23,2,34,12,28,32,7,29,31,6,20,3,21,9,27,8,30,5,10,15,14,25,16,17,19,26,24,18,22,33,11,4/E:(8,9)(11,12)/rA:35cCCCOCCCCCCOCCCCCCONCCOCOCOCCCCCCOCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s8;s14;d15;s16;d17;s14s17;s19;s20;s21;s22;s16;s15;d25;s25;s27;d28;s29;d30;d27s31;s30;s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H33NO7 |
All Atoms: | 68 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.8276 |
Area: | 753.715 |
Solvation: | -9.01529 |
Coulombic: | -72.5999 |
Bond Count [?]
All: | 37 |
Single: | 28 |
Double: | 9 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 483.553 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 4.11 |
LogP (Chemaxon): | 2.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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