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Chemical ID: 6313796
Chemical ID:
6313796
Name [?]:
5-(3,4-dimethoxyphenyl)-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-4-(4-methoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
COc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)OC)CCOCCO)O
InChi [?]:
InChI=1/C24H27NO8/c1-30-17-7-4-15(5-8-17)22(27)20-21(16-6-9-18(31-2)19(14-16)32-3)25(24(29)23(20)28)10-12-33-13-11-26/h4-9,14,21,26,28H,10-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,24,5,7,18,4,8,19,27,31,28,30,22,6,17,3,20,21,11,16,9,12,13,15,32,10,33,14,2,25,23,29/E:(4,5)(7,8)/rA:33cCOCCCCCCCOCCCONCCCCCCCOCOCCCOCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;d11;s12;d13;s13;s11s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s15;s27;s28;s29;s30;s31;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27NO8 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.77842 |
Area: | 675.265 |
Solvation: | -11.1032 |
Coulombic: | -87.1586 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 457.473 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 9 |
XLogP: | 1.78 |
LogP (Chemaxon): | 0.86 |
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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