4-fluoro-7-[(4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenyl-1-piperidinyl)carbonyl]-1,3-benzoxazol-2(3H)-one
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccc(F)c3[nH]c(=O)oc23)CC1- InChIKey
WWELOEOSHMCRLG-UHFFFAOYSA-N- Molecular formula
- C36H38FN5O3
- Average molar mass
- 607.7 g/mol
Names & identifiers
- Preferred name
- 4-fluoro-7-[(4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenyl-1-piperidinyl)carbonyl]-1,3-benzoxazol-2(3H)-one
- IUPAC
- 4-fluoro-7-[4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidine-1-carbonyl]-3H-1,3-benzoxazol-2-one
Names & synonyms
SCHEMBL3530182WWELOEOSHMCRLG-UHFFFAOYSA-N4-fluoro-7-[(4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenyl-1-piperidinyl)carbonyl]-1,3-benzoxazol-2(3H)-one
Database identifiers
- PubChem CID
- 58728403
Properties
Computed structural propertiesFilling in
- XLogP
- 6
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
2 records
Compound notes
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