Chemical ID: 5182502

CCOc1ccc(cc1)C(=O)C2=C(C(=O)NC2c3cccnc3)O
Chemical ID:
5182502
Name [?]:
4-(4-ethoxybenzoyl)-3-hydroxy-5-(3-pyridyl)-1,5-dihydropyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1)C(=O)C2=C(C(=O)NC2c3cccnc3)O
InChi [?]:
InChI=1/C18H16N2O4/c1-2-24-13-7-5-11(6-8-13)16(21)14-15(20-18(23)17(14)22)12-4-3-9-19-10-12/h3-10,15,22H,2H2,1H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,2,20,19,6,8,5,9,21,23,7,18,4,12,17,10,13,14,22,16,11,24,15,3/E:(5,6)(7,8)/rA:24cCCOCCCCCCCOCCCONCCCCCNCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:7.49795
Area:525.861
Solvation:-5.64856
Coulombic:-57.8516
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:324.331
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.14
LogP (Chemaxon):0.23

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