Basic information
- CAS
1242-71-3- Standard SMILES
CC(CN(C)C)N1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21.Cl.Cl- InChIKey
JULCZDGUUXWYAA-UHFFFAOYSA-N- Molecular formula
- C20H24Cl3N3O
- Average molar mass
- 428.8 g/mol
- Monoisotopic mass
- 427.098495
Names & identifiers
- Preferred name
- 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(2-(dimethylamino)-1-methylethyl)-5-phenyl-, dihydrochloride
- IUPAC
- 7-chloro-1-[1-(dimethylamino)propan-2-yl]-5-phenyl-3H-1,4-benzodiazepin-2-one;dihydrochloride
Names & synonyms
1242-71-32H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(2-(dimethylamino)-1-methylethyl)-5-phenyl-, dihydrochlorideRefChem:267870DTXSID609247537-Chloro-1-[1-(dimethylamino)propan-2-yl]-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one--hydrogen chloride (1/2)
Database identifiers
- CAS
1242-71-3- PubChem CID
- 14718
- DTXSID
DTXSID60924753
Properties
Computed structural properties
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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