Basic information
- CAS
50539-90-7- Standard SMILES
CC(C)Oc1ccccc1OC(=O)NCSc1ccc(Br)cc1- InChIKey
DLPPASMTYJSDIU-UHFFFAOYSA-N- Molecular formula
- C17H18BrNO3S
- Average molar mass
- 396.3 g/mol
- Monoisotopic mass
- 395.01908
Names & identifiers
- Preferred name
- Carbamic acid, ((4-bromophenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester
- IUPAC
- (2-propan-2-yloxyphenyl) N-[(4-bromophenyl)sulfanylmethyl]carbamate
Names & synonyms
BRN 2012123CARBAMIC ACID, ((4-BROMOPHENYL)THIO)METHYL-, 2-(1-METHYLETHOXY)PHENYL ESTER50539-90-7DTXSID80198570((4-Bromophenyl)thio)methylcarbamic acid 2-(1-methylethoxy)phenyl esterRefChem:331689DTXCID401210612-[(Propan-2-yl)oxy]phenyl {[(4-bromophenyl)sulfanyl]methyl}carbamate
Database identifiers
- CAS
50539-90-7- PubChem CID
- 39713
- DTXSID
DTXSID80198570
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…