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Chemical ID: 7015729
Chemical ID:
7015729
Name [?]:
4-(3-ethoxybenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(3,4,5-trimethoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3cc(c(c(c3)OC)OC)OC)CCN4CCOCC4)O
InChi [?]:
InChI=1/C28H34N2O8/c1-5-38-20-8-6-7-18(15-20)25(31)23-24(19-16-21(34-2)27(36-4)22(17-19)35-3)30(28(33)26(23)32)10-9-29-11-13-37-14-12-29/h6-8,15-17,24,32H,5,9-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,25,29,27,2,6,7,5,31,30,33,37,34,36,9,23,19,8,18,4,22,20,12,17,10,13,21,14,32,16,11,38,15,24,28,26,35,3/E:(2,3)(11,12)(13,14)(16,17)(21,22)(34,35)/rA:38cCCOCCCCCCCOCCCONCCCCCCCOCOCOCCCNCCOCCO/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;s21;s26;s20;s28;s16;s30;s31;s32;s33;s34;s35;s32s36;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H34N2O8 |
All Atoms: | 72 |
Heavy Atoms: | 38 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.54256 |
Area: | 778.233 |
Solvation: | -11.9133 |
Coulombic: | -82.6348 |
Bond Count [?]
All: | 41 |
Single: | 32 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 526.578 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 10 |
XLogP: | 2.33 |
LogP (Chemaxon): | -0.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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