Chemical ID: 6167099

CC1=C(C(=O)N=C(C1=Cc2ccc(o2)c3cccc(c3)C(=O)C)O)C#N
Chemical ID:
6167099
Name [?]:
5-[[5-(3-acetylphenyl)-2-furyl]methylene]-6-hydroxy-4-methyl-2-oxo-pyridine-3-carbonitrile
SMILES [?]:
CC1=C(C(=O)N=C(C1=Cc2ccc(o2)c3cccc(c3)C(=O)C)O)C#N
InChi [?]:
InChI=1/C20H14N2O4/c1-11-16(19(24)22-20(25)17(11)10-21)9-15-6-7-18(26-15)14-5-3-4-13(8-14)12(2)23/h3-9H,1-2H3,(H,22,24,25)
InChi Info:
AuxInfo=1/1/N:1,23,17,18,16,11,12,20,9,25,2,21,19,15,10,8,3,13,7,4,26,6,22,24,5,14/rA:26nCCCCONCCCCCCCOCCCCCCCOCOCN/rB:s1;d2;s3;d4;s4;d6;s2s7;w8;s9;d10;s11;d12;s10s13;s13;s15;d16;s17;d18;d15s19;s19;d21;s21;s7;s3;t25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H14N2O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.08764
Area:556.469
Solvation:-4.82409
Coulombic:-50.0744
Bond Count [?]
All:28
Single:17
Double:10
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:346.336
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.25
LogP (Chemaxon):1.57

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