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Chemical ID: 7015730
Chemical ID:
7015730
Name [?]:
4-(3-ethoxybenzoyl)-3-hydroxy-5-(3-methoxyphenyl)-1-(2-morpholinoethyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)OC)CCN4CCOCC4)O
InChi [?]:
InChI=1/C26H30N2O6/c1-3-34-21-9-5-7-19(17-21)24(29)22-23(18-6-4-8-20(16-18)32-2)28(26(31)25(22)30)11-10-27-12-14-33-15-13-27/h4-9,16-17,23,30H,3,10-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,2,20,6,19,7,21,5,27,26,29,33,30,32,23,9,18,8,22,4,12,17,10,13,14,28,16,11,34,15,24,31,3/E:(12,13)(14,15)/rA:34cCCOCCCCCCCOCCCONCCCCCCCOCCCNCCOCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s16;s26;s27;s28;s29;s30;s31;s28s32;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H30N2O6 |
All Atoms: | 64 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.84117 |
Area: | 717.331 |
Solvation: | -8.09212 |
Coulombic: | -70.052 |
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): | 0.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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