[2-[(3-Carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 3-chloro-4-hydroxybenzoate
Basic information
- CAS
851623-45-5- Standard SMILES
NC(=O)c1c(NC(=O)COC(=O)c2ccc(O)c(Cl)c2)sc2c1CCCC2- InChIKey
LAWUIWWOXVCVCX-UHFFFAOYSA-N- Molecular formula
- C18H17ClN2O5S
- Average molar mass
- 408.9 g/mol
- Monoisotopic mass
- 408.0546705
Names & identifiers
- Preferred name
- [2-[(3-Carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 3-chloro-4-hydroxybenzoate
- IUPAC
- [2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 3-chloro-4-hydroxybenzoate
Names & synonyms
[2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 3-chloro-4-hydroxybenzoateMLS002171678CHEMBL1396147DTXSID701333364HMS3084L04AKOS033933801851623-45-5SMR001251971AB00730952-01SR-01000063972SR-01000063972-1Z25119654
Show more names
2-[(3-Carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl 3-chloro-4-hydroxybenzoate
Database identifiers
- CAS
851623-45-5- PubChem CID
- 2475554
- DTXSID
DTXSID701333364- ChEMBL
CHEMBL1396147
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 592
Experimental & physicochemical properties
Solubility8.5 [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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