ChemDB: Chemical Search
Download
Chemical ID: 4333385
Chemical ID:
4333385
Name [?]:
4-benzoyl-1-benzyl-5-(2-fluorophenyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
c1ccc(cc1)CN2C(C(=C(C2=O)O)C(=O)c3ccccc3)c4ccccc4F
InChi [?]:
InChI=1/C24H18FNO3/c25-19-14-8-7-13-18(19)21-20(22(27)17-11-5-2-6-12-17)23(28)24(29)26(21)15-16-9-3-1-4-10-16/h1-14,21,28H,15H2
InChi Info:
AuxInfo=1/0/N:1,20,2,6,19,21,25,26,3,5,18,22,24,27,7,4,17,23,28,10,9,15,11,12,29,8,16,14,13/E:(3,4)(5,6)(9,10)(11,12)/rA:29cCCCCCCCNCCCCOOCOCCCCCCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s8s11;d12;s11;s10;d15;s15;s17;d18;s19;d20;d17s21;s9;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18FNO3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.80314 |
Area: | 544.283 |
Solvation: | -4.80394 |
Coulombic: | -49.3796 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 387.403 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.07 |
LogP (Chemaxon): | 4.14 |
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 |
---|