2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(3-(diethylamino)propyl)-5-(o-fluorophenyl)-, dihydrochloride
Basic information
- CAS
4130-75-0- Standard SMILES
CCN(CC)CCCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21.Cl.Cl- InChIKey
QUYLCUGBYNYTMQ-UHFFFAOYSA-N- Molecular formula
- C22H27Cl3FN3O
- Average molar mass
- 474.8 g/mol
- Monoisotopic mass
- 473.120374
Names & identifiers
- Preferred name
- 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(3-(diethylamino)propyl)-5-(o-fluorophenyl)-, dihydrochloride
- IUPAC
- 7-chloro-1-[3-(diethylamino)propyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one;dihydrochloride
Names & synonyms
4130-75-02H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(3-(diethylamino)propyl)-5-(o-fluorophenyl)-, dihydrochlorideDTXSID50194286RefChem:267876DTXCID601167777-Chloro-1-[3-(diethylamino)propyl]-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one--hydrogen chloride (1/2)
Database identifiers
- CAS
4130-75-0- PubChem CID
- 20093
- DTXSID
DTXSID50194286
Properties
Computed structural properties
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 554
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Related reactions
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Compound notes
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