Basic information
- CAS
445237-04-7- Standard SMILES
CCOC(=O)c1c(NC(=O)c2cccc(COc3ccc(Cl)cc3)c2)sc2c1CCCCC2- InChIKey
NNBXGZOASTXTKB-UHFFFAOYSA-N- Molecular formula
- C26H26ClNO4S
- Average molar mass
- 484 g/mol
Names & identifiers
- Preferred name
- ethyl 2-({3-[(4-chlorophenoxy)methyl]benzoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
- IUPAC
- ethyl 2-[[3-[(4-chlorophenoxy)methyl]benzoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
- English name
- ethyl 2-({3-[(4-chlorophenoxy)methyl]benzoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
- Molecular formula
- C26H26ClNO4S
- Molecular weight
- 484.00694
Names & synonyms
ethyl 2-({3-[(4-chlorophenoxy)methyl]benzoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylateethyl 2-[[3-[(4-chlorophenoxy)methyl]benzoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylateAK-968/41024512STL168182AKOS001490897ethyl 2-[({3-[(4-chlorophenoxy)methyl]phenyl}carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylateETHYL 2-{3-[(4-CHLOROPHENOXY)METHYL]BENZAMIDO}-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE
Database identifiers
- CAS
445237-04-7
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 656
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
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Compound notes
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