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Chemical ID: 7015090
Chemical ID:
7015090
Name [?]:
5-(3-ethoxy-4-hydroxy-phenyl)-3-hydroxy-4-(3-methoxybenzoyl)-1-(2-methoxyethyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1cc(ccc1O)C2C(=C(C(=O)N2CCOC)O)C(=O)c3cccc(c3)OC
InChi [?]:
InChI=1/C23H25NO7/c1-4-31-18-13-14(8-9-17(18)25)20-19(22(27)23(28)24(20)10-11-29-2)21(26)15-6-5-7-16(12-15)30-3/h5-9,12-13,20,25,27H,4,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,31,2,26,25,27,7,8,17,18,29,5,6,24,28,9,4,12,11,22,13,14,16,10,23,21,15,19,30,3/rA:31cCCOCCCCCCOCCCCONCCOCOCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;s11;d12;s13;d14;s11s14;s16;s17;s18;s19;s13;s12;d22;s22;s24;d25;s26;d27;d24s28;s28;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25NO7 |
All Atoms: | 56 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.58151 |
Area: | 648.096 |
Solvation: | -8.6209 |
Coulombic: | -80.4671 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 427.447 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 2.86 |
LogP (Chemaxon): | 1.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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