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Chemical ID: 7015684
Chemical ID:
7015684
Name [?]:
5-(4-ethoxyphenyl)-3-hydroxy-4-(3-methoxybenzoyl)-1-(2-morpholinoethyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4cccc(c4)OC
InChi [?]:
InChI=1/C26H30N2O6/c1-3-34-20-9-7-18(8-10-20)23-22(24(29)19-5-4-6-21(17-19)32-2)25(30)26(31)28(23)12-11-27-13-15-33-16-14-27/h4-10,17,23,30H,3,11-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,34,2,29,28,30,6,8,5,9,17,16,19,23,20,22,32,7,27,4,31,11,10,25,12,13,18,15,26,24,14,33,21,3/E:(7,8)(9,10)(13,14)(15,16)/rA:34cCCOCCCCCCCCCCONCCNCCOCCOCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d13;s10s13;s15;s16;s17;s18;s19;s20;s21;s18s22;s12;s11;d25;s25;s27;d28;s29;d30;d27s31;s31;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H30N2O6 |
All Atoms: | 64 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.68658 |
Area: | 718.685 |
Solvation: | -8.28054 |
Coulombic: | -69.8901 |
Bond Count [?]
All: | 37 |
Single: | 28 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 466.526 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 2.9 |
LogP (Chemaxon): | 0.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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