| CAS Number | 1244640-48-9 |
| Catalog Number | AG01ENOP(AGN-PC-3H4616) |
| Chemical Name | VU 0364739 (hydrochloride) |
| IUPAC Name | N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide;hydrochloride |
| InChI | InChI=1S/C26H27FN4O2.ClH/c27-22-6-3-7-23(17-22)31-18-29-25(33)26(31)10-13-30(14-11-26)15-12-28-24(32)21-9-8-19-4-1-2-5-20(19)16-21;/h1-9,16-17H,10-15,18H2,(H,28,32)(H,29,33);1H |
| InChI Key | RYLAMDMOILNBKN-UHFFFAOYSA-N |
| MDL Number | MFCD19690943 |
| Molecular Formula | C26H28ClFN4O2 |
| Molecular Weight | 482.9775 |
| SMILES | C1=C2C(C=CC=C2)=CC=C1C(NCCN1CCC2(N(C3=CC=CC(F)=C3)CNC2=O)CC1)=O.[H]Cl |
| Synonyms | VU 0364739 hydrochloride,
1244640-48-9,
N-[2-[1-(3-Fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-8-yl]ethyl]-2-naphthalenecarboxamide,
MLS003875035,
ML271,
AKOS024458014,
API0010324,
SMR002531850,
VU0364739-2,
J-005080,
1244639-78-8,
|
| Complexity | 710 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 482.188g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 482.984g/mol |
| Monoisotopic Mass | 482.188g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 64.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number