Basic information
- CAS
57462-79-0- Standard SMILES
CC1Oc2ccc(Cl)cc2N(CCC[NH+]2CCN(C)CC2)C1=O.[Cl-]- InChIKey
HDESCHQXZHMCDB-UHFFFAOYSA-N- Molecular formula
- C17H25Cl2N3O2
- Average molar mass
- 374.3 g/mol
- Monoisotopic mass
- 373.1323824
Names & identifiers
- Preferred name
- 4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-2-methyl-4-(3-(4-methylpiperazinyl)propyl)-, hydrochloride
- IUPAC
- 6-chloro-2-methyl-4-[3-(4-methylpiperazin-1-ium-1-yl)propyl]-1,4-benzoxazin-3-one chloride
Names & synonyms
57462-79-04H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-2-methyl-4-(3-(4-methylpiperazinyl)propyl)-, hydrochlorideRefChem:297126
Database identifiers
- CAS
57462-79-0- PubChem CID
- 42332
Properties
Computed structural properties
- Topological polar surface area
- 37.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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