Basic information
- CAS
354542-06-6- Standard SMILES
CC1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3Cl)c2C(=O)OC(C)C)C1- InChIKey
RRZUGGIIIAACCH-UHFFFAOYSA-N- Molecular formula
- C21H23Cl2NO4S
- Average molar mass
- 456.4 g/mol
- Monoisotopic mass
- 455.0724848
Names & identifiers
- Preferred name
- Isopropyl 2-{[(2,4-dichlorophenoxy)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- propan-2-yl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- English name
- isopropyl 2-{[(2,4-dichlorophenoxy)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- Molecular formula
- C21H23Cl2NO4S
- Molecular weight
- 456.38262
Names & synonyms
isopropyl 2-{[(2,4-dichlorophenoxy)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateAK-968/37005262STK425755AKOS003240560AKOS022162740propan-2-yl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateST50910851methylethyl 2-[2-(2,4-dichlorophenoxy)acetylamino]-6-methyl-4,5,6,7-tetrahydro benzo[b]thiophene-3-carboxylatepropan-2-yl 2-{[(2,4-dichlorophenoxy)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Database identifiers
- CAS
354542-06-6- PubChem CID
- 3280833
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 593
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…