1-(Pyridin-3-ylmethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4-diazepan-5-one
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Basic information
- CAS
909658-79-3- Standard SMILES
O=C1CCN(Cc2cccnc2)CCN1Cc1ccc(C(F)(F)F)nc1- InChIKey
BOHSZWQXGAVXQN-UHFFFAOYSA-N- Molecular formula
- C18H19F3N4O
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.15109573
Names & identifiers
- Preferred name
- 1-(Pyridin-3-ylmethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4-diazepan-5-one
- IUPAC
- 1-(pyridin-3-ylmethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4-diazepan-5-one
- English name
- 1-(PYRIDIN-3-YLMETHYL)-4-([6-(TRIFLUOROMETHYL)PYRIDIN-3-YL]METHYL)-1,4-DIAZEPAN-5-ONE
- Molecular formula
- C18H19F3N4O
- Molecular weight
- 364.3648696
Names & synonyms
909658-79-3SR-01000387181SR-01000387181-11-(PYRIDIN-3-YLMETHYL)-4-([6-(TRIFLUOROMETHYL)PYRIDIN-3-YL]METHYL)-1,4-DIAZEPAN-5-ONE
Database identifiers
- CAS
909658-79-3- PubChem CID
- 24732998
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 474
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Compound notes
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