1H-Pyrrole, 3-(3-hydroxy-1-oxo-3-(1H-tetrazol-5-yl)-2-propenyl)-4-(2-phenylethyl)-1-(phenylsulfonyl)-
Basic information
- CAS
280571-21-3- Standard SMILES
O=C(C=C(O)c1cn(S(=O)(=O)c2ccccc2)cc1CCc1ccccc1)c1nn[nH]n1- InChIKey
LETIRWUTIYCEOI-UHFFFAOYSA-N- Molecular formula
- C22H19N5O4S
- Average molar mass
- 449.5 g/mol
- Monoisotopic mass
- 449.11577528
Names & identifiers
- Preferred name
- 1H-Pyrrole, 3-(3-hydroxy-1-oxo-3-(1H-tetrazol-5-yl)-2-propenyl)-4-(2-phenylethyl)-1-(phenylsulfonyl)-
- IUPAC
- 3-[1-(benzenesulfonyl)-4-(2-phenylethyl)pyrrol-3-yl]-3-hydroxy-1-(2H-tetrazol-5-yl)prop-2-en-1-one
Names & synonyms
280571-21-31H-Pyrrole, 3-(3-hydroxy-1-oxo-3-(1H-tetrazol-5-yl)-2-propenyl)-4-(2-phenylethyl)-1-(phenylsulfonyl)-1H-Pyrrole, 3-[3-hydroxy-1-oxo-3-(1H-tetrazol-5-yl)-2-propenyl]-4-(2-phenylethyl)-1-(phenylsulfonyl)-DTXSID309507411-[1-(benzenesulfonyl)-4-phenethyl-pyrrol-3-yl]-3-hydroxy-3-(1H-tetrazol-5-yl)prop-2-en-1-one3-[1-(Benzenesulfonyl)-4-(2-phenylethyl)-1H-pyrrol-3-yl]-3-hydroxy-1-(2H-tetrazol-5-yl)prop-2-en-1-one
Database identifiers
- CAS
280571-21-3- PubChem CID
- 489189
- DTXSID
DTXSID30950741
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 772
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…