Chemical ID: 7024592

c1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)Cl)Cc4ccco4)O
Chemical ID:
7024592
Name [?]:
4-benzoyl-5-(3-chlorophenyl)-1-(2-furylmethyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
c1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)Cl)Cc4ccco4)O
InChi [?]:
InChI=1/C22H16ClNO4/c23-16-9-4-8-15(12-16)19-18(20(25)14-6-2-1-3-7-14)21(26)22(27)24(19)13-17-10-5-11-28-17/h1-12,19,26H,13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,17,25,3,5,16,18,24,26,20,22,4,15,19,23,9,14,7,10,11,21,13,8,28,12,27/E:(2,3)(6,7)/rA:28cCCCCCCCOCCCONCCCCCCCClCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;d9;s10;d11;s11;s9s13;s14;s15;d16;s17;d18;d15s19;s19;s13;s22;d23;s24;d25;s23s26;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16ClNO4
All Atoms:44
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:8.91615
Area:567.836
Solvation:-5.27976
Coulombic:-51.0609
Bond Count [?]
All:31
Single:20
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:393.819
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.23
LogP (Chemaxon):3.47

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