methyl 2-{[(3-chlorophenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Basic information
- CAS
302803-29-8- Standard SMILES
COC(=O)c1c(NC(=O)COc2cccc(Cl)c2)sc2c1CCC2- InChIKey
AJXQICSLHHOTNK-UHFFFAOYSA-N- Molecular formula
- C17H16ClNO4S
- Average molar mass
- 365.8 g/mol
- Monoisotopic mass
- 365.0488569
Names & identifiers
- Preferred name
- methyl 2-{[(3-chlorophenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- IUPAC
- methyl 2-[[2-(3-chlorophenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- English name
- methyl 2-{[(3-chlorophenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- Molecular formula
- C17H16ClNO4S
- Molecular weight
- 365.83124
Names & synonyms
methyl 2-{[(3-chlorophenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylatemethyl 2-(2-(3-chlorophenoxy)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylatemethyl 2-[2-(3-chlorophenoxy)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateCBKinase1_001160CBKinase1_013560Oprea1_098489Oprea1_413177AKOS001624189methyl 2-[[2-(3-chlorophenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateAF-399/13428283SR-01000429761SR-01000429761-1
Show more names
BRD-K49743775-001-01-4302803-29-8
Database identifiers
- CAS
302803-29-8- PubChem CID
- 978663
- EC Number
- 144-604-3
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 478
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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