Chemical ID: 6313738

COc1ccc(cc1OC)C2C(=C(C(=O)N2CCOCCO)O)C(=O)c3ccccc3
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

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Descriptor Annotations

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