Basic information
- CAS
50479-96-4- Standard SMILES
CC1(C)Cc2cccc(OC(=O)NCSc3ccc4c(c3)OCO4)c2O1- InChIKey
GOPWKQNOSDGKBF-UHFFFAOYSA-N- Molecular formula
- C19H19NO5S
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 373.09839388
Names & identifiers
- Preferred name
- Carbamic acid, (1,3-benzodioxol-5-ylthio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
- IUPAC
- (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(1,3-benzodioxol-5-ylsulfanylmethyl)carbamate
Names & synonyms
Carbamic acid, (1,3-benzodioxol-5-ylthio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester50479-96-4DTXSID30198500(1,3-Benzodioxol-5-ylthio)methylcarbamic acid 2,3-dihydro-2,2-dimethyl-7-benzofuranyl esterRefChem:331738DTXCID201209912,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl {[(2H-1,3-benzodioxol-5-yl)sulfanyl]methyl}carbamate
Database identifiers
- CAS
50479-96-4- PubChem CID
- 39679
- DTXSID
DTXSID30198500
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 516
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…