1,3-Oxazine, tetrahydro-3-((4-methylphenyl)sulfonyl)-6-(4-morpholinylmethyl)-2-phenyl-
Basic information
- CAS
40798-77-4- Standard SMILES
Cc1ccc(S(=O)(=O)N2CCC(CN3CCOCC3)OC2c2ccccc2)cc1- InChIKey
DVDNCSRSYGBNTP-UHFFFAOYSA-N- Molecular formula
- C22H28N2O4S
- Average molar mass
- 416.5 g/mol
- Monoisotopic mass
- 416.17697855
Names & identifiers
- Preferred name
- 1,3-Oxazine, tetrahydro-3-((4-methylphenyl)sulfonyl)-6-(4-morpholinylmethyl)-2-phenyl-
- IUPAC
- 3-(4-methylphenyl)sulfonyl-6-(morpholin-4-ylmethyl)-2-phenyl-1,3-oxazinane
Names & synonyms
40798-77-4Morpholinomethyl-6 p-tolylsulfonyl-3 phenyl-2 tetrahydro m-oxazine [French]Tetrahydro-3-((4-methylphenyl)sulfonyl)-6-(4-morpholinylmethyl)-2-phenyl-1,3-oxazine1,3-Oxazine, tetrahydro-3-((4-methylphenyl)sulfonyl)-6-(4-morpholinylmethyl)-2-phenyl-Morpholinomethyl-6 p-tolylsulfonyl-3 phenyl-2 tetrahydro m-oxazineRefChem:219401DTXSID109612143-(4-Methylbenzene-1-sulfonyl)-6-[(morpholin-4-yl)methyl]-2-phenyl-1,3-oxazinane
Database identifiers
- CAS
40798-77-4- PubChem CID
- 218558
- DTXSID
DTXSID10961214
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 603
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Compound notes
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