Basic information
- CAS
148550-96-3- Standard SMILES
COc1ccc2c(c1)C(OC(C)C)=C(C(N)=O)S2=O- InChIKey
VCBBOEAKKOXRTJ-UHFFFAOYSA-N- Molecular formula
- C13H15NO4S
- Average molar mass
- 281.33 g/mol
- Monoisotopic mass
- 281.07217913
Names & identifiers
- Preferred name
- PD 144795
- IUPAC
- 5-methoxy-1-oxo-3-propan-2-yloxy-1-benzothiophene-2-carboxamide
- English name
- PD 144795
- Molecular formula
- C13H15NO4S
- Molecular weight
- 281.3275
Names & synonyms
PD 144795PD-144795148550-96-3RefChem:170539CHEMBL1437025-Methoxy-3-(1-methylethoxy)benzo(b)thiophene-2-carboxamide-1-oxide3-Isopropoxy-5-methoxycinnamamide 1-oxide5-methoxy-3-(1-methylethoxy)benzo[b]thiophene-2-carboxamide-1-oxideBenzo(b)thiophene-2-carboxamide, 5-methoxy-3-(1-methylethoxy)-, 1-oxideBenzo[b]thiophene-2-carboxamide, 5-methoxy-3-(1-methylethoxy)-, 1-oxideDTXSID20933427VCBBOEAKKOXRTJ-UHFFFAOYSA-N
Show more names
orb1738918SCHEMBL6938250CHEMBL2111977CHEMBL33502755-Methoxy-3-(1-methylethoxy)benzo(b)thiophene-2-carboxamide 1-oxideBDBM500296293-isopropoxy-5-methoxy-1-oxo-benzothiophene-2-carboxamide3-Isopropoxy-5-methoxy-1-oxo-benzo[b]thiophene-2-carboxylic acid amide
Database identifiers
- CAS
148550-96-3- PubChem CID
- 5481003
- DTXSID
DTXSID20933427- ChEMBL
CHEMBL143702、CHEMBL2111977、CHEMBL3350275- Nikkaji
- J580.438H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 97.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 432
Chemistry & industry
Applications
DescriptionPD 144795 inhibited neutrophil adhesion to tumour necrosis factor-α (TNF-α)-activated human umbilical vein endothelial cells
Suppliers2 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
7 records
Compound notes
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