6-(2-ethylsulfinylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one
Basic information
- CAS
116007-10-4- Standard SMILES
CCCc1nc2c(o1)CC(CC(C)S(=O)CC)CC2=O- InChIKey
NAZWBDBUNHROBT-UHFFFAOYSA-N- Molecular formula
- C15H23NO3S
- Average molar mass
- 297.4 g/mol
- Monoisotopic mass
- 297.13986477
Names & identifiers
- Preferred name
- 6-(2-ethylsulfinylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one
- IUPAC
- 6-(2-ethylsulfinylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one
Names & synonyms
116007-10-46-(2-(Ethylsulfinyl)propyl)-2-propyl-6,7-dihydrobenzo[d]oxazol-4(5H)-one6-(2-ethylsulfinylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-oneDTXSID109218986-[2-(Ethanesulfinyl)propyl]-2-propyl-6,7-dihydro-1,3-benzoxazol-4(5H)-one
Database identifiers
- CAS
116007-10-4- PubChem CID
- 189347
- DTXSID
DTXSID10921898
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 374
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