Basic information
- CAS
40966-99-2- Standard SMILES
CN1C(=O)C(OCCO)N=C(c2ccccc2)c2cc(Cl)ccc21- InChIKey
PYRIRQPKPPLVMI-UHFFFAOYSA-N- Molecular formula
- C18H17ClN2O3
- Average molar mass
- 344.8 g/mol
- Monoisotopic mass
- 344.0927701
Names & identifiers
- Preferred name
- 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-(2-hydroxyethoxy)-1-methyl-5-phenyl-
- IUPAC
- 7-chloro-3-(2-hydroxyethoxy)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
Names & synonyms
40966-99-22H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-(2-hydroxyethoxy)-1-methyl-5-phenyl-RefChem:10650487-Chloro-1,3-dihydro-3-(2-hydroxyethoxy)-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-oneBRN 0703078CHEMBL3249495DTXSID609613457-Chloro-3-(2-hydroxyethoxy)-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Database identifiers
- CAS
40966-99-2- PubChem CID
- 38728
- DTXSID
DTXSID60961345- ChEMBL
CHEMBL3249495- Nikkaji
- J69.320K
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 479
Experimental & physicochemical properties
LogP1.98
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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