1-[N-methyl-N-(2,4-dimethyl-3-oxo-2-pentanesulfenyl)carbamoyloxy]-napthalene
Basic information
- Standard SMILES
CC(C)C(=O)C(C)(C)SN(C)C(=O)Oc1cccc2ccccc12- InChIKey
MCNHNXZFKKRXFV-UHFFFAOYSA-N- Molecular formula
- C19H23NO3S
- Average molar mass
- 345.5 g/mol
Names & identifiers
- Preferred name
- 1-[N-methyl-N-(2,4-dimethyl-3-oxo-2-pentanesulfenyl)carbamoyloxy]-napthalene
- IUPAC
- naphthalen-1-yl N-(2,4-dimethyl-3-oxopentan-2-yl)sulfanyl-N-methylcarbamate
Names & synonyms
SCHEMBL11559999MCNHNXZFKKRXFV-UHFFFAOYSA-N1-[N-methyl-N-(2,4-dimethyl-3-oxo-2-pentanesulfenyl)carbamoyloxy]-napthalene
Database identifiers
- PubChem CID
- 54065321
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 464
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Related reactions
1 records
Compound notes
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