| CAS Number | 1644158-57-5 |
| Catalog Number | AG01E2M6(AGN-PC-0WP0PB) |
| Chemical Name | AcidCeramidaseInhibitor17a |
| IUPAC Name | 6-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide |
| InChI | InChI=1S/C24H21FN2O3/c25-20-12-9-18(10-13-20)19-11-14-21-22(16-19)30-24(29)27(21)23(28)26-15-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,9-14,16H,4-5,8,15H2,(H,26,28) |
| InChI Key | DPYVAZSLMQCVOG-UHFFFAOYSA-N |
| MDL Number | MFCD32196894 |
| Molecular Formula | C24H21FN2O3 |
| Molecular Weight | 404.4335 |
| SMILES | FC1=CC=C(C=C1)C1=CC2=C(N(C(O2)=O)C(=O)NCCCCC2=CC=CC=C2)C=C1 |
| Synonyms | 1644158-57-5,
ARN14974,
AcidCeramidaseInhibitor17a,
Acid Ceramidase Inhibitor 17a,
CHEMBL3740827,
SCHEMBL17260676,
BCP20855,
ZINC299817120,
|
| Complexity | 587 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 404.154g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 404.441g/mol |
| Monoisotopic Mass | 404.154g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number