ChemDB: Chemical Search
Download
Chemical ID: 4345803
Chemical ID:
4345803
Name [?]:
2-(4-fluorophenyl)amino-5-(2-methyl-3-phenyl-prop-2-enylidene)-thiazol-4-one
SMILES [?]:
CC(=Cc1ccccc1)C=C2C(=O)N=C(S2)Nc3ccc(cc3)F
InChi [?]:
InChI=1/C19H15FN2OS/c1-13(11-14-5-3-2-4-6-14)12-17-18(23)22-19(24-17)21-16-9-7-15(20)8-10-16/h2-12H,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,7,6,8,5,9,20,22,19,23,3,10,2,4,21,18,11,12,15,24,17,14,13,16/E:(3,4)(5,6)(7,8)(9,10)/rA:24nCCCCCCCCCCCCONCSNCCCCCCF/rB:s1;w2;s3;s4;d5;s6;d7;d4s8;s2;w10;s11;d12;s12;d14;s11s15;s15;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15FN2OS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1644 |
Area: | 526.426 |
Solvation: | -2.9963 |
Coulombic: | -34.4309 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 338.4 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.35 |
LogP (Chemaxon): | 5.03 |
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 |
---|