ChemDB: Chemical Search
Download
Chemical ID: 4207068
Chemical ID:
4207068
Name [?]:
4-(4-chlorobenzoyl)-5-(2-fluorophenyl)-3-hydroxy-1-(3-morpholinopropyl)-5H-pyrrol-2-one
SMILES [?]:
c1ccc(c(c1)C2C(=C(C(=O)N2CCCN3CCOCC3)O)C(=O)c4ccc(cc4)Cl)F
InChi [?]:
InChI=1/C24H24ClFN2O4/c25-17-8-6-16(7-9-17)22(29)20-21(18-4-1-2-5-19(18)26)28(24(31)23(20)30)11-3-10-27-12-14-32-15-13-27/h1-2,4-9,21,30H,3,10-15H2
InChi Info:
AuxInfo=1/0/N:1,2,14,6,3,26,30,27,29,15,13,17,21,18,20,25,28,5,4,8,7,23,9,10,31,32,16,12,24,22,11,19/E:(6,7)(8,9)(12,13)(14,15)/rA:32cCCCCCCCCCCONCCCNCCOCCOCOCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s7s10;s12;s13;s14;s15;s16;s17;s18;s19;s16s20;s9;s8;d23;s23;s25;d26;s27;d28;d25s29;s28;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24ClFN2O4 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.9977 |
Area: | 676.499 |
Solvation: | -5.91472 |
Coulombic: | -61.0354 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 458.91 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.79 |
LogP (Chemaxon): | 0.43 |
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 |
---|