Basic information
- CAS
353782-05-5- Standard SMILES
CC(C)OC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCCC2- InChIKey
XGWZTFJQOUVUJA-UHFFFAOYSA-N- Molecular formula
- C19H20ClNO3S
- Average molar mass
- 377.9 g/mol
- Monoisotopic mass
- 377.0852424
Names & identifiers
- Preferred name
- Isopropyl 2-[(2-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- propan-2-yl 2-[(2-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- English name
- isopropyl 2-[(2-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- Molecular formula
- C19H20ClNO3S
- Molecular weight
- 377.885
Names & synonyms
isopropyl 2-[(2-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateOprea1_760528STK431923AKOS001659745propan-2-yl 2-[(2-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateEU-0075077ST50910915AK-968/11367407SR-01000463521SR-01000463521-1methylethyl 2-[(2-chlorophenyl)carbonylamino]-4,5,6,7-tetrahydrobenzo[b]thioph ene-3-carboxylatePROPAN-2-YL 2-(2-CHLOROBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
Show more names
propan-2-yl 2-{[(2-chlorophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Database identifiers
- CAS
353782-05-5- PubChem CID
- 1219242
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 501
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…