Basic information
- CAS
304685-77-6- Standard SMILES
NC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCC2- InChIKey
SYVZDLOWVOPYTP-UHFFFAOYSA-N- Molecular formula
- C16H15FN2O2S
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.08382706
Names & identifiers
- Preferred name
- 2-[(2-Fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- IUPAC
- 2-[(2-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Names & synonyms
304685-77-62-[(2-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide2-(2-FLUOROBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDEF0016-06752-(2-fluorobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamideOprea1_355512MLS001204070CHEMBL1471157DTXSID301327313HMS2817I03SMSSF-0014817STK137253
Show more names
AKOS000291695EBC-149113SMR000519043AG-205/36734007SR-01000525030SR-01000525030-1Z273584702-(o-fluorobenzylamino)-1-thia-4,5,6,7-tetrahydro-3-indenecarboxamide
Database identifiers
- CAS
304685-77-6- PubChem CID
- 700253
- DTXSID
DTXSID301327313- ChEMBL
CHEMBL1471157- Nikkaji
- J1.956.134H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 448
Experimental & physicochemical properties
Solubility3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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