Basic information
- Standard SMILES
COC(=O)N1CCC(N2CC(n3c(=O)n(S(C)(=O)=O)c4ccccc43)C2)CC1- InChIKey
MHDMXPHMHWPNQO-UHFFFAOYSA-N- Molecular formula
- C18H24N4O5S
- Average molar mass
- 408.5 g/mol
Names & identifiers
- Preferred name
- 1-[1-(1-methoxycarbonylpiperidin-4-yl)-azetidin-3-yl]-3-(methylsulfonyl)-1,3-dihydro-2H-benzimidazol-2-one
- IUPAC
- methyl 4-[3-(3-methylsulfonyl-2-oxobenzimidazol-1-yl)azetidin-1-yl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL6578247MHDMXPHMHWPNQO-UHFFFAOYSA-N1-[1-(1-methoxycarbonylpiperidin-4-yl)-azetidin-3-yl]-3-(methylsulfonyl)-1,3-dihydro-2H-benzimidazol-2-one
Database identifiers
- PubChem CID
- 9909381
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 725
Related reactions
2 records
Compound notes
Loading…