Basic information
- CAS
50539-77-0- Standard SMILES
CC1(C)Cc2cccc(OC(=O)NCSc3ccc(C#N)cc3)c2O1- InChIKey
AZHXRISIMDLSQN-UHFFFAOYSA-N- Molecular formula
- C19H18N2O3S
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.10381361
Names & identifiers
- Preferred name
- Carbamic acid, ((4-cyanophenyl)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
- IUPAC
- (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-cyanophenyl)sulfanylmethyl]carbamate
Names & synonyms
BRN 1438620Carbamic acid, ((4-cyanophenyl)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester50539-77-0DTXSID00198557((4-Cyanophenyl)thio)methylcarbamic acid 2,3-dihydro-2,2-dimethyl-7-benzofuranyl esterRefChem:331691DTXCID601210482,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl {[(4-cyanophenyl)sulfanyl]methyl}carbamate
Database identifiers
- CAS
50539-77-0- PubChem CID
- 39701
- DTXSID
DTXSID00198557
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 96.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 522
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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