Methyl 1,2,3,4,5,7-hexahydro-7-oxo-9-(3-pyridinylmethoxy)-3-[[3-(trifluoromethyl)phenyl]methyl]pyrido[1,2-d][1,4]diazepine-10-carboxylate
Basic information
- CAS
1185353-34-7- Standard SMILES
COC(=O)c1c(OCc2cccnc2)cc(=O)n2c1CCN(Cc1cccc(C(F)(F)F)c1)CC2- InChIKey
PJNAILXYDJJDHM-UHFFFAOYSA-N- Molecular formula
- C25H24F3N3O4
- Average molar mass
- 487.5 g/mol
- Monoisotopic mass
- 487.17189074
Names & identifiers
- Preferred name
- Methyl 1,2,3,4,5,7-hexahydro-7-oxo-9-(3-pyridinylmethoxy)-3-[[3-(trifluoromethyl)phenyl]methyl]pyrido[1,2-d][1,4]diazepine-10-carboxylate
- IUPAC
- methyl 7-oxo-9-(pyridin-3-ylmethoxy)-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
Names & synonyms
1185353-34-7Methyl 1,2,3,4,5,7-hexahydro-7-oxo-9-(3-pyridinylmethoxy)-3-[[3-(trifluoromethyl)phenyl]methyl]pyrido[1,2-d][1,4]diazepine-10-carboxylateDTXSID901101575methyl 7-oxo-9-(3-pyridinylmethoxy)-3-[3-(trifluoromethyl)benzyl]-1,2,3,4,5,7-hexahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
Database identifiers
- CAS
1185353-34-7- PubChem CID
- 28956366
- DTXSID
DTXSID901101575
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 857
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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