Benzamide, 3-(aminomethyl)-N-[(2R)-1,2,3,4-tetrahydro-7-[(5,6,7,8-tetrahydro-7-oxo-1,8-naphthyridin-4-yl)oxy]-2-naphthalenyl]-5-(trifluoromethyl)-, hydrochloride (1:2)

HCID 127028362

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1237536-19-4
Standard SMILES: Cl.Cl.NCc1cc(C(=O)N[C@@H]2CCc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)cc(C(F)(F)F)c1
InChIKey: LWVGDBMVZYRODI-FAVHNTAZSA-N
Molecular formula: C27H27Cl2F3N4O3
Average molar mass: 583.4 g/mol
Monoisotopic mass: 582.1412306

Names & identifiers

Preferred name: Benzamide, 3-(aminomethyl)-N-[(2R)-1,2,3,4-tetrahydro-7-[(5,6,7,8-tetrahydro-7-oxo-1,8-naphthyridin-4-yl)oxy]-2-naphthalenyl]-5-(trifluoromethyl)-, hydrochloride (1:2)
IUPAC: 3-(aminomethyl)-N-[(2R)-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(trifluoromethyl)benzamide;dihydrochloride

Names & synonyms

CHEMBL3764101DTXSID1013756731237536-19-4Benzamide, 3-(aminomethyl)-N-[(2R)-1,2,3,4-tetrahydro-7-[(5,6,7,8-tetrahydro-7-oxo-1,8-naphthyridin-4-yl)oxy]-2-naphthalenyl]-5-(trifluoromethyl)-, hydrochloride (1:2)

Database identifiers

CAS: 1237536-19-4
PubChem CID: 127028362
DTXSID: DTXSID101375673
ChEMBL: CHEMBL3764101

Properties

Computed structural properties

Topological polar surface area: 106 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 8
Rotatable bonds: 5
Heavy atoms: 39
Formal charge: 0
Complexity: 827

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…