ChemDB: Chemical Search
Download
Chemical ID: 7024664
Chemical ID:
7024664
Name [?]:
5-(3,4-dichlorophenyl)-4-(4-fluorobenzoyl)-1-(2-furylmethyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
c1cc(oc1)CN2C(C(=C(C2=O)O)C(=O)c3ccc(cc3)F)c4ccc(c(c4)Cl)Cl
InChi [?]:
InChI=1/C22H14Cl2FNO4/c23-16-8-5-13(10-17(16)24)19-18(20(27)12-3-6-14(25)7-4-12)21(28)22(29)26(19)11-15-2-1-9-30-15/h1-10,19,28H,11H2
InChi Info:
AuxInfo=1/0/N:1,2,17,21,24,18,20,25,5,28,6,16,23,19,3,26,27,9,8,14,10,11,30,29,22,7,15,13,12,4/E:(3,4)(6,7)/rA:30cCCCOCCNCCCCOOCOCCCCCCFCCCCCCClCl/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;d9;s7s10;d11;s10;s9;d14;s14;s16;d17;s18;d19;d16s20;s19;s8;s23;d24;s25;d26;d23s27;s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H14Cl2FNO4 |
All Atoms: | 44 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.56867 |
Area: | 601.01 |
Solvation: | -6.45658 |
Coulombic: | -53.541 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 446.255 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.01 |
LogP (Chemaxon): | 4.13 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|