Ethyl 4-(phenylsulfonylmethyl)-3,4-dihydro-2H-benzo[B][1,4]oxazine-2-carboxylate
Basic information
- CAS
1092460-57-5- Standard SMILES
CCOC(=O)C1CN(CS(=O)(=O)c2ccccc2)c2ccccc2O1- InChIKey
IYKVZJDECNMISW-UHFFFAOYSA-N- Molecular formula
- C18H19NO5S
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 361.09839388
Names & identifiers
- Preferred name
- Ethyl 4-(phenylsulfonylmethyl)-3,4-dihydro-2H-benzo[B][1,4]oxazine-2-carboxylate
- IUPAC
- ethyl 4-(benzenesulfonylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate
- English name
- Ethyl 4-(phenylsulfonylmethyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxylate
- Molecular formula
- C18H19NO5S
- Molecular weight
- 361.41
Names & synonyms
1092460-57-5ETHYL 4-(PHENYLSULFONYLMETHYL)-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-2-CARBOXYLATEMFCD11867864Ethyl 4-((phenylsulfonyl)methyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxylateethyl 4-(benzenesulfonylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylateEthyl4-((phenylsulfonyl)methyl)-3,4-dihydro-2h-benzo[b][1,4]oxazine-2-carboxylateDTXSID701139140AR3389AKOS027334990AS-45596CS-0173065F306500
Show more names
2H-1,4-Benzoxazine-2-carboxylic acid, 3,4-dihydro-4-[(phenylsulfonyl)methyl]-, ethyl ester
Ethyl 3,4-dihydro-4-[(phenylsulfonyl)methyl]-2H-1,4-benzoxazine-2-carboxylateEthyl 4-[(benzenesulfonyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Database identifiers
- CAS
1092460-57-5- PubChem CID
- 45926157
- DTXSID
DTXSID701139140
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 552
Physicochemical properties
- Boiling point
- 548.9 · 548.9±50.0 °C(Predicted)
- Density
- 1.292 · 1.292±0.06 g/cm3(Predicted)
- pka
- 1.3 · 1.30±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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