3H-1,4-Benzodiazepin-3-ol, 7-chloro-2-(dimethylamino)-5-phenyl-
Basic information
- CAS
76458-47-4- Standard SMILES
CN(C)C1=Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O- InChIKey
PTHJLUZPRXMVTP-UHFFFAOYSA-N- Molecular formula
- C17H16ClN3O
- Average molar mass
- 313.8 g/mol
- Monoisotopic mass
- 313.0981898
Names & identifiers
- Preferred name
- 3H-1,4-Benzodiazepin-3-ol, 7-chloro-2-(dimethylamino)-5-phenyl-
- IUPAC
- 7-chloro-2-(dimethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-ol
Names & synonyms
76458-47-43H-1,4-BENZODIAZEPIN-3-OL, 7-CHLORO-2-(DIMETHYLAMINO)-5-PHENYL-RefChem:10689187-Chloro-2-(dimethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-olNSC 370890BRN 4514158NSC370890DTXSID601384621NSC-370890
Database identifiers
- CAS
76458-47-4- PubChem CID
- 53506
- DTXSID
DTXSID601384621
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 48.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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