Basic information
- CAS
50539-78-1- Standard SMILES
CN(Sc1ccc2ccccc2c1)C(=O)Oc1cccc2c1OC(C)(C)C2- InChIKey
VQAPWBZMRSLNCC-UHFFFAOYSA-N- Molecular formula
- C22H21NO3S
- Average molar mass
- 379.5 g/mol
- Monoisotopic mass
- 379.12421471
Names & identifiers
- Preferred name
- Carbamic acid, methyl(2-naphthalenylthio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
- IUPAC
- (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-naphthalen-2-ylsulfanylcarbamate
Names & synonyms
BRN 1401680Carbamic acid, methyl(2-naphthalenylthio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester50539-78-1DTXSID60198558(2-Naphthylthio)methylcarbamic acid 2,3-dihydro-2,2-dimethyl-7-benzofuranyl esterMethyl(2-naphthalenylthio)carbamic acid 2,3-dihydro-2,2-dimethyl-7-benzofuranyl esterRefChem:332515DTXCID201210492,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl methyl[(naphthalen-2-yl)sulfanyl]carbamate
Database identifiers
- CAS
50539-78-1- PubChem CID
- 39702
- DTXSID
DTXSID60198558
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 540
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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