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Chemical ID: 6313738
Chemical ID:
6313738
Name [?]:
4-benzoyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrol-2-one
SMILES [?]:
COc1ccc(cc1OC)C2C(=C(C(=O)N2CCOCCO)O)C(=O)c3ccccc3
InChi [?]:
InChI=1/C23H25NO7/c1-29-17-9-8-16(14-18(17)30-2)20-19(21(26)15-6-4-3-5-7-15)22(27)23(28)24(20)10-12-31-13-11-25/h3-9,14,20,25,27H,10-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,29,28,30,27,31,5,4,17,21,18,20,7,26,6,3,8,12,11,24,13,14,16,22,25,23,15,2,9,19/E:(4,5)(6,7)/rA:31cCOCCCCCCOCCCCCONCCOCCOOCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s13;d14;s11s14;s16;s17;s18;s19;s20;s21;s13;s12;d24;s24;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25NO7 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.2264 |
Area: | 639.319 |
Solvation: | -9.75657 |
Coulombic: | -81.1264 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 427.447 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 1.86 |
LogP (Chemaxon): | 1.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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