Basic information
- Standard SMILES
O=C(c1nc(CO)sc1-c1ccc(F)cc1)N1CCCCC1Cc1nc2c(F)c(F)ccc2[nH]1- InChIKey
NNMSVACMDHBVQS-UHFFFAOYSA-N- Molecular formula
- C24H21F3N4O2S
- Average molar mass
- 486.5 g/mol
Names & identifiers
- Preferred name
- (RS)-1-[2-(4,5-Difluoro-1H-benzoimidazol-2-ylmethyl)-piperidin-1-yl]-1-[5-(4-fluoro-phenyl)-2-hydroxymethyl-thiazol-4-yl]-methanone
- IUPAC
- [2-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-(hydroxymethyl)-1,3-thiazol-4-yl]methanone
Names & synonyms
SCHEMBL1257975NNMSVACMDHBVQS-UHFFFAOYSA-N(RS)-1-[2-(4,5-Difluoro-1H-benzoimidazol-2-ylmethyl)-piperidin-1-yl]-1-[5-(4-fluoro-phenyl)-2-hydroxymethyl-thiazol-4-yl]-methanone
Database identifiers
- PubChem CID
- 66968516
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 716
Related reactions
5 records
Compound notes
Loading…