Basic information
- Standard SMILES
O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4c(c3)CCO4)cc2F)C1- InChIKey
FYWLIJMXOJCQDO-HNNXBMFYSA-N- Molecular formula
- C25H25FN4O3
- Average molar mass
- 448.5 g/mol
Names & identifiers
- Preferred name
- 5-{[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl}-4-[4-(2,3-dihydro-1-benzofuran-5-yl)-2-fluorophenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
- IUPAC
- 3-[[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4-[4-(2,3-dihydro-1-benzofuran-5-yl)-2-fluorophenyl]-1H-1,2,4-triazol-5-one
Names & synonyms
SCHEMBL2354649FYWLIJMXOJCQDO-HNNXBMFYSA-N5-{[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl}-4-[4-(2,3-dihydro-1-benzofuran-5-yl)-2-fluorophenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Database identifiers
- PubChem CID
- 67375650
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 817
Related reactions
2 records
Compound notes
Loading…