ID 622
Basic information
- CAS
33691-06-4- Standard SMILES
CS(=O)(=O)CCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21- InChIKey
JHSVIYYVRLIPDK-UHFFFAOYSA-N- Molecular formula
- C18H16ClFN2O3S
- Average molar mass
- 394.8 g/mol
- Monoisotopic mass
- 394.0554194
Overview
structure
Names & identifiers
- Preferred name
- ID 622
- IUPAC
- 7-chloro-5-(2-fluorophenyl)-1-(2-methylsulfonylethyl)-3H-1,4-benzodiazepin-2-one
Names & synonyms
ID 62233691-06-4ID-622DTXSID501873757-Chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2-(methylsulfonyl)ethyl)-2H-1,4-benzodiazepin-2-oneRefChem:147686DTXCID601098662H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(o-fluorophenyl)-1-(2-(methylsulfonyl)ethyl)-BRN 09024847-chloro-5-(2-fluorophenyl)-1-(2-methylsulfonylethyl)-3H-1,4-benzodiazepin-2-one5-24-04-00328 (Beilstein Handbook Reference)SCHEMBL11579759
Show more names
1-(beta-methylsulfonylethyl)-5-(o-fluorophenyl)-7-chloro-1,3-dihydro-2H-1,4-benzodiazepin-2-one7-Chloro-5-(2-fluorophenyl)-1-[2-(methanesulfonyl)ethyl]-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Database identifiers
- CAS
33691-06-4- PubChem CID
- 36582
- DTXSID
DTXSID50187375
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 664
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…