Propan-2-YL 2-(3,4,5-trimethoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Basic information
- CAS
385381-19-1- Standard SMILES
COc1cc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)cc(OC)c1OC- InChIKey
WTWFCPPAXLJFPP-UHFFFAOYSA-N- Molecular formula
- C22H27NO6S
- Average molar mass
- 433.5 g/mol
- Monoisotopic mass
- 433.15590875
Names & identifiers
- Preferred name
- Propan-2-YL 2-(3,4,5-trimethoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- propan-2-yl 2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Names & synonyms
PROPAN-2-YL 2-(3,4,5-TRIMETHOXYBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATEOprea1_668119DTXSID401115204AKOS001659824385381-19-1SR-01000463608SR-01000463608-11-Methylethyl 4,5,6,7-tetrahydro-2-[(3,4,5-trimethoxybenzoyl)amino]benzo[b]thiophene-3-carboxylate
Database identifiers
- CAS
385381-19-1- PubChem CID
- 4416616
- DTXSID
DTXSID401115204
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 588
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…