| CAS Number | 1785037-46-8 |
| Catalog Number | AG00HZUI(AGN-PC-0WQY0R) |
| Chemical Name | Methyl 7-benzyl-4-chloro-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylate |
| IUPAC Name | methyl 7-benzyl-4-chloro-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylate |
| InChI | InChI=1S/C17H17ClN2O2/c1-22-17(21)14-9-19-15-11-20(8-7-13(15)16(14)18)10-12-5-3-2-4-6-12/h2-6,9H,7-8,10-11H2,1H3 |
| InChI Key | RJKMCJBFVLBSIL-UHFFFAOYSA-N |
| MDL Number | MFCD23160193 |
| Molecular Formula | C17H17ClN2O2 |
| Molecular Weight | 316.7821 |
| SMILES | COC(=O)C1=C(Cl)C2=C(CN(CC3=CC=CC=C3)CC2)N=C1 |
| Synonyms | METHYL 7-BENZYL-4-CHLORO-5,6,7,8-TETRAHYDRO-1,7-NAPHTHYRIDINE-3-CARBOXYLATE,
1785037-46-8,
SCHEMBL17111933,
MFCD23160193,
SC4421,
ZINC96028568,
AKOS026671182,
AS-54673,
|
| Complexity | 387 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.785g/mol |
| Monoisotopic Mass | 316.098g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number