Basic information
- CAS
380644-29-1- Standard SMILES
CCOC(=O)c1c(NCc2cc(Br)cc(Br)c2O)sc2c1CCC2- InChIKey
ZENXYAYYNBYKFK-UHFFFAOYSA-N- Molecular formula
- C17H17Br2NO3S
- Average molar mass
- 475.2 g/mol
Names & identifiers
- Preferred name
- ethyl 2-[(3,5-dibromo-2-hydroxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- IUPAC
- ethyl 2-[(3,5-dibromo-2-hydroxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- English name
- ethyl 2-[(3,5-dibromo-2-hydroxybenzyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- Molecular formula
- C17H17Br2NO3S
- Molecular weight
- 475.19
Names & synonyms
380644-29-1ethyl 2-[(3,5-dibromo-2-hydroxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateethyl 2-[(3,5-dibromo-2-hydroxybenzyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateethyl 2-((3,5-dibromo-2-hydroxybenzyl)amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateOprea1_733008STL024046AKOS003684915AE-848/125301324H-Cyclopenta[b]thiophene-3-carboxylic acid, 2-[[(3,5-dibromo-2-hydroxyphenyl)methyl]amino]-5,6-dihydro-, ethyl ester
Database identifiers
- CAS
380644-29-1
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 456
Physicochemical properties
- Boiling point
- 568.1 · 568.1±50.0 °C(Predicted)
- Density
- 1.738 · 1.738±0.06 g/cm3(Predicted)
- pka
- 7.6 · 7.60±0.48(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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